4-[[2-(3-azanylpropoxy)phenyl]carbonylamino]-N-[2-[6-[bis(2-hydroxyethyl)amino]-6-oxidanylidene-hexoxy]-4-methyl-phenyl]-3-methoxy-N-methyl-benzamide hydrochloride

Systemtic Name: 4-[[2-(3-azanylpropoxy)phenyl]carbonylamino]-N-[2-[6-[bis(2-hydroxyethyl)amino]-6-oxidanylidene-hexoxy]-4-methyl-phenyl]-3-methoxy-N-methyl-benzamide hydrochloride Openeye Name: 4-[[2-(3-aminopropoxy)benzoyl]amino]-N-[2-[6-[bis(2-hydroxyethyl)amino]-6-oxo-hexoxy]-4-methyl-phenyl]-3-methoxy-N-methyl-benzamide hydrochloride CAS Name: 4-[[[2-(3-aminopropoxy)phenyl]-oxomethyl]amino]-N-[2-[6-[bis(2-hydroxyethyl)amino]-6-oxohexoxy]-4-methylphenyl]-3-methoxy-N-methylbenzamide hydrochloride IUPAC Name: 4-[[2-(3-aminopropoxy)benzoyl]amino]-N-[2-[6-[bis(2-hydroxyethyl)amino]-6-oxohexoxy]-4-methylphenyl]-3-methoxy-N-methylbenzamide hydrochloride Traditional Name: 4-[[2-(3-aminopropoxy)benzoyl]amino]-N-[2-[6-[bis(2-hydroxyethyl)amino]-6-keto-hexoxy]-4-methyl-phenyl]-3-methoxy-N-methyl-benzamide hydrochloride Formula: C36H49ClN4O8 MolecularWeight: 701.24926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3OCCCN)OC)OCCCCCC(=O)N(CCO)CCO.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3OCCCN)OC)OCCCCCC(=O)N(CCO)CCO.Cl

InChI

InChI=1S/C36H48N4O8.ClH/c1-26-13-16-30(33(24-26)48-22-8-4-5-12-34(43)40(18-20-41)19-21-42)39(2)36(45)27-14-15-29(32(25-27)46-3)38-35(44)28-10-6-7-11-31(28)47-23-9-17-37;/h6-7,10-11,13-16,24-25,41-42H,4-5,8-9,12,17-23,37H2,1-3H3,(H,38,44);1H