2-dimethylaminoethyl 6-[2-[[4-[[2-(3-azanylpropoxy)phenyl]carbonylamino]-3-methoxy-phenyl]carbonyl-methyl-amino]-5-methyl-phenoxy]hexanoate

Systemtic Name: 2-dimethylaminoethyl 6-[2-[[4-[[2-(3-azanylpropoxy)phenyl]carbonylamino]-3-methoxy-phenyl]carbonyl-methyl-amino]-5-methyl-phenoxy]hexanoate Openeye Name: 2-dimethylaminoethyl 6-[2-[[4-[[2-(3-aminopropoxy)benzoyl]amino]-3-methoxy-benzoyl]-methyl-amino]-5-methyl-phenoxy]hexanoate CAS Name: 6-[2-[[[4-[[[2-(3-aminopropoxy)phenyl]-oxomethyl]amino]-3-methoxyphenyl]-oxomethyl]-methylamino]-5-methylphenoxy]hexanoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 6-[2-[[4-[[2-(3-aminopropoxy)benzoyl]amino]-3-methoxybenzoyl]-methylamino]-5-methylphenoxy]hexanoate Traditional Name: 6-[2-[[4-[[2-(3-aminopropoxy)benzoyl]amino]-3-methoxy-benzoyl]-methyl-amino]-5-methyl-phenoxy]hexanoic acid 2-dimethylaminoethyl ester Formula: C36H48N4O7 MolecularWeight: 648.78892

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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)OCCN(C)C

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)OCCN(C)C

InChI

InChI=1S/C36H48N4O7/c1-26-15-18-30(33(24-26)46-21-10-6-7-14-34(41)47-23-20-39(2)3)40(4)36(43)27-16-17-29(32(25-27)44-5)38-35(42)28-12-8-9-13-31(28)45-22-11-19-37/h8-9,12-13,15-18,24-25H,6-7,10-11,14,19-23,37H2,1-5H3,(H,38,42)