[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-propoxybenzoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-propoxybenzoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2CCC(CC2)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2CCC(CC2)C

InChI

InChI=1S/C19H27NO4/c1-3-12-23-17-10-6-15(7-11-17)19(22)24-13-18(21)20-16-8-4-14(2)5-9-16/h6-7,10-11,14,16H,3-5,8-9,12-13H2,1-2H3,(H,20,21)