(4-tert-butylcyclohexyl) 4-oxidanylidene-4-[(phenylmethyl)amino]butanoate

Systemtic Name: (4-tert-butylcyclohexyl) 4-oxidanylidene-4-[(phenylmethyl)amino]butanoate Openeye Name: (4-tert-butylcyclohexyl) 4-(benzylamino)-4-oxo-butanoate CAS Name: 4-oxo-4-[(phenylmethyl)amino]butanoic acid (4-tert-butylcyclohexyl) ester IUPAC Name: (4-tert-butylcyclohexyl) 4-(benzylamino)-4-oxobutanoate Traditional Name: 4-(benzylamino)-4-keto-butyric acid (4-tert-butylcyclohexyl) ester Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)OC(=O)CCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1CCC(CC1)OC(=O)CCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H31NO3/c1-21(2,3)17-9-11-18(12-10-17)25-20(24)14-13-19(23)22-15-16-7-5-4-6-8-16/h4-8,17-18H,9-15H2,1-3H3,(H,22,23)