2-[[3-[(4-ethoxy-3-methoxy-butanoyl)-(6-methylheptanoyl)amino]phenyl]-hexyl-carbamoyl]benzoic acid

Systemtic Name: 2-[[3-[(4-ethoxy-3-methoxy-butanoyl)-(6-methylheptanoyl)amino]phenyl]-hexyl-carbamoyl]benzoic acid Openeye Name: 2-[[3-[(4-ethoxy-3-methoxy-butanoyl)-(6-methylheptanoyl)amino]phenyl]-hexyl-carbamoyl]benzoic acid CAS Name: 2-[[3-[(4-ethoxy-3-methoxy-1-oxobutyl)-(6-methyl-1-oxoheptyl)amino]-N-hexylanilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-[(4-ethoxy-3-methoxybutanoyl)-(6-methylheptanoyl)amino]phenyl]-hexylcarbamoyl]benzoic acid Traditional Name: 2-[[3-[(4-ethoxy-3-methoxy-butanoyl)-(6-methylheptanoyl)amino]phenyl]-hexyl-carbamoyl]benzoic acid Formula: C35H50N2O7 MolecularWeight: 610.7807

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C1=CC(=CC=C1)N(C(=O)CCCCC(C)C)C(=O)CC(COCC)OC)C(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCCCN(C1=CC(=CC=C1)N(C(=O)CCCCC(C)C)C(=O)CC(COCC)OC)C(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C35H50N2O7/c1-6-8-9-14-22-36(34(40)30-19-11-12-20-31(30)35(41)42)27-17-15-18-28(23-27)37(32(38)21-13-10-16-26(3)4)33(39)24-29(43-5)25-44-7-2/h11-12,15,17-20,23,26,29H,6-10,13-14,16,21-22,24-25H2,1-5H3,(H,41,42)