butyl 4-[[6-[(4-butoxycarbonylphenyl)carbamoyl]pyridin-3-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[6-[(4-butoxycarbonylphenyl)carbamoyl]pyridin-3-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[6-[(4-butoxycarbonylphenyl)carbamoyl]pyridine-3-carbonyl]amino]benzoate CAS Name: 4-[[[6-[[4-[butoxy(oxo)methyl]anilino]-oxomethyl]-3-pyridinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[6-[(4-butoxycarbonylphenyl)carbamoyl]pyridine-3-carbonyl]amino]benzoate Traditional Name: 4-[[6-[(4-butoxycarbonylphenyl)carbamoyl]nicotinoyl]amino]benzoic acid butyl ester Formula: C29H31N3O6 MolecularWeight: 517.57294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)OCCCC

InChI

InChI=1S/C29H31N3O6/c1-3-5-17-37-28(35)20-7-12-23(13-8-20)31-26(33)22-11-16-25(30-19-22)27(34)32-24-14-9-21(10-15-24)29(36)38-18-6-4-2/h7-16,19H,3-6,17-18H2,1-2H3,(H,31,33)(H,32,34)