[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate

Systemtic Name: [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-keto-2-[[(1R,2S)-2-methylcyclohexyl]amino]ethyl] ester Formula: C20H29NO4 MolecularWeight: 347.44856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2CCCCC2C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C

InChI

InChI=1S/C20H29NO4/c1-3-4-13-24-17-11-9-16(10-12-17)20(23)25-14-19(22)21-18-8-6-5-7-15(18)2/h9-12,15,18H,3-8,13-14H2,1-2H3,(H,21,22)/t15-,18+/m0/s1