4-[[3-(cyclohexylmethyl)-4-methoxy-phenyl]carbonylamino]-3-(phenylmethyl)benzoic acid

Systemtic Name: 4-[[3-(cyclohexylmethyl)-4-methoxy-phenyl]carbonylamino]-3-(phenylmethyl)benzoic acid Openeye Name: 3-benzyl-4-[[3-(cyclohexylmethyl)-4-methoxy-benzoyl]amino]benzoic acid CAS Name: 4-[[[3-(cyclohexylmethyl)-4-methoxyphenyl]-oxomethyl]amino]-3-(phenylmethyl)benzoic acid IUPAC Name: 3-benzyl-4-[[3-(cyclohexylmethyl)-4-methoxybenzoyl]amino]benzoic acid Traditional Name: 3-benzyl-4-[[3-(cyclohexylmethyl)-4-methoxy-benzoyl]amino]benzoic acid Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)C(=O)O)CC3=CC=CC=C3)CC4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)C(=O)O)CC3=CC=CC=C3)CC4CCCCC4

InChI

InChI=1S/C29H31NO4/c1-34-27-15-13-22(18-25(27)17-21-10-6-3-7-11-21)28(31)30-26-14-12-23(29(32)33)19-24(26)16-20-8-4-2-5-9-20/h2,4-5,8-9,12-15,18-19,21H,3,6-7,10-11,16-17H2,1H3,(H,30,31)(H,32,33)