methyl 4-[[3-(cyclohexylmethyl)phenyl]carbonylamino]-3-(phenylmethyl)benzoate

Systemtic Name: methyl 4-[[3-(cyclohexylmethyl)phenyl]carbonylamino]-3-(phenylmethyl)benzoate Openeye Name: methyl 3-benzyl-4-[[3-(cyclohexylmethyl)benzoyl]amino]benzoate CAS Name: 4-[[[3-(cyclohexylmethyl)phenyl]-oxomethyl]amino]-3-(phenylmethyl)benzoic acid methyl ester IUPAC Name: methyl 3-benzyl-4-[[3-(cyclohexylmethyl)benzoyl]amino]benzoate Traditional Name: 3-benzyl-4-[[3-(cyclohexylmethyl)benzoyl]amino]benzoic acid methyl ester Formula: C29H31NO3 MolecularWeight: 441.56134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)CC3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)CC3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H31NO3/c1-33-29(32)25-15-16-27(26(20-25)18-22-11-6-3-7-12-22)30-28(31)24-14-8-13-23(19-24)17-21-9-4-2-5-10-21/h3,6-8,11-16,19-21H,2,4-5,9-10,17-18H2,1H3,(H,30,31)