(3,5-dimethylphenyl)methyl 2-(cyclohexylcarbonylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: (3,5-dimethylphenyl)methyl 2-(cyclohexylcarbonylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: (3,5-dimethylphenyl)methyl 2-(cyclohexanecarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-3-(1H-indol-3-yl)propanoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 2-(cyclohexanecarbonylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: 2-(cyclohexanecarbonylamino)-3-(1H-indol-3-yl)propionic acid (3,5-dimethylbenzyl) ester Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4CCCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4CCCCC4)C

InChI

InChI=1S/C27H32N2O3/c1-18-12-19(2)14-20(13-18)17-32-27(31)25(29-26(30)21-8-4-3-5-9-21)15-22-16-28-24-11-7-6-10-23(22)24/h6-7,10-14,16,21,25,28H,3-5,8-9,15,17H2,1-2H3,(H,29,30)