4-[[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)-(phenylcarbonyl)amino]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)-(phenylcarbonyl)amino]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[(4-acetyl-N-benzoyl-3-hydroxy-2-propyl-anilino)methyl]-3-methoxy-benzoic acid CAS Name: 4-[(4-acetyl-N-benzoyl-3-hydroxy-2-propylanilino)methyl]-3-methoxybenzoic acid IUPAC Name: 4-[(4-acetyl-N-benzoyl-3-hydroxy-2-propylanilino)methyl]-3-methoxybenzoic acid Traditional Name: 4-[(4-acetyl-N-benzoyl-3-hydroxy-2-propyl-anilino)methyl]-3-methoxy-benzoic acid Formula: C27H27NO6 MolecularWeight: 461.50638

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)N(CC2=C(C=C(C=C2)C(=O)O)OC)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)N(CC2=C(C=C(C=C2)C(=O)O)OC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H27NO6/c1-4-8-22-23(14-13-21(17(2)29)25(22)30)28(26(31)18-9-6-5-7-10-18)16-20-12-11-19(27(32)33)15-24(20)34-3/h5-7,9-15,30H,4,8,16H2,1-3H3,(H,32,33)