methyl 4-[(E)-3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[[(1S,2S)-2-methylcyclohexyl]amino]prop-1-enyl]benzoic acid methyl ester Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C=CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)/C=C/C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H23NO3/c1-13-5-3-4-6-16(13)19-17(20)12-9-14-7-10-15(11-8-14)18(21)22-2/h7-13,16H,3-6H2,1-2H3,(H,19,20)/b12-9+/t13-,16-/m0/s1