methyl 3-[4-[(2-phenylethanoylamino)methyl]cyclohexyl]carbonyl-1H-indole-4-carboxylate

Systemtic Name: methyl 3-[4-[(2-phenylethanoylamino)methyl]cyclohexyl]carbonyl-1H-indole-4-carboxylate Openeye Name: methyl 3-[4-[[(2-phenylacetyl)amino]methyl]cyclohexanecarbonyl]-1H-indole-4-carboxylate CAS Name: 3-[oxo-[4-[[(1-oxo-2-phenylethyl)amino]methyl]cyclohexyl]methyl]-1H-indole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-[[(2-phenylacetyl)amino]methyl]cyclohexanecarbonyl]-1H-indole-4-carboxylate Traditional Name: 3-[4-[[(2-phenylacetyl)amino]methyl]cyclohexanecarbonyl]-1H-indole-4-carboxylic acid methyl ester Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)NC=C2C(=O)C3CCC(CC3)CNC(=O)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)NC=C2C(=O)C3CCC(CC3)CNC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O4/c1-32-26(31)20-8-5-9-22-24(20)21(16-27-22)25(30)19-12-10-18(11-13-19)15-28-23(29)14-17-6-3-2-4-7-17/h2-9,16,18-19,27H,10-15H2,1H3,(H,28,29)