2-[[3-[(4-pentoxycarbonylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-[(4-pentoxycarbonylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[3-[(4-pentoxycarbonylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid CAS Name: 2-[oxo-[3-[oxo-[4-[oxo(pentoxy)methyl]anilino]methyl]anilino]methyl]benzoic acid IUPAC Name: 2-[[3-[(4-pentoxycarbonylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[3-[(4-amoxycarbonylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid Formula: C27H26N2O6 MolecularWeight: 474.50514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C27H26N2O6/c1-2-3-6-16-35-27(34)18-12-14-20(15-13-18)28-24(30)19-8-7-9-21(17-19)29-25(31)22-10-4-5-11-23(22)26(32)33/h4-5,7-15,17H,2-3,6,16H2,1H3,(H,28,30)(H,29,31)(H,32,33)