[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-pentanoate

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-pentanoate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 3-methyl-2-phenyl-pentanoate CAS Name: 3-methyl-2-phenylpentanoic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 3-methyl-2-phenylpentanoate Traditional Name: 3-methyl-2-phenyl-valeric acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OCC(=O)NC2CCCCC2C

Isomeric SMILES

CCC(C)C(C1=CC=CC=C1)C(=O)OCC(=O)NC2CCCCC2C

InChI

InChI=1S/C21H31NO3/c1-4-15(2)20(17-11-6-5-7-12-17)21(24)25-14-19(23)22-18-13-9-8-10-16(18)3/h5-7,11-12,15-16,18,20H,4,8-10,13-14H2,1-3H3,(H,22,23)