N-[4-[2-[[4-[[2-(3-azanylpropoxy)phenyl]carbonylamino]-3-methoxy-phenyl]carbonyl-methyl-amino]-5-methyl-phenoxy]butyl]piperidine-4-carboxamide

Systemtic Name: N-[4-[2-[[4-[[2-(3-azanylpropoxy)phenyl]carbonylamino]-3-methoxy-phenyl]carbonyl-methyl-amino]-5-methyl-phenoxy]butyl]piperidine-4-carboxamide Openeye Name: N-[4-[2-[[4-[[2-(3-aminopropoxy)benzoyl]amino]-3-methoxy-benzoyl]-methyl-amino]-5-methyl-phenoxy]butyl]piperidine-4-carboxamide CAS Name: N-[4-[2-[[[4-[[[2-(3-aminopropoxy)phenyl]-oxomethyl]amino]-3-methoxyphenyl]-oxomethyl]-methylamino]-5-methylphenoxy]butyl]-4-piperidinecarboxamide IUPAC Name: N-[4-[2-[[4-[[2-(3-aminopropoxy)benzoyl]amino]-3-methoxybenzoyl]-methylamino]-5-methylphenoxy]butyl]piperidine-4-carboxamide Traditional Name: N-[4-[2-[[4-[[2-(3-aminopropoxy)benzoyl]amino]-3-methoxy-benzoyl]-methyl-amino]-5-methyl-phenoxy]butyl]isonipecotamide Formula: C36H47N5O6 MolecularWeight: 645.78828

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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)OCCCCNC(=O)C4CCNCC4

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3OCCCN)OC)OCCCCNC(=O)C4CCNCC4

InChI

InChI=1S/C36H47N5O6/c1-25-11-14-30(33(23-25)47-21-7-6-18-39-34(42)26-15-19-38-20-16-26)41(2)36(44)27-12-13-29(32(24-27)45-3)40-35(43)28-9-4-5-10-31(28)46-22-8-17-37/h4-5,9-14,23-24,26,38H,6-8,15-22,37H2,1-3H3,(H,39,42)(H,40,43)