4-[(E)-2-cyano-3-[[(1R,2S)-2-methylcyclohexyl]amino]-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-cyano-3-[[(1R,2S)-2-methylcyclohexyl]amino]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-[[(1R,2S)-2-methylcyclohexyl]amino]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-[[(1R,2S)-2-methylcyclohexyl]amino]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-[[(1R,2S)-2-methylcyclohexyl]amino]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-keto-3-[[(1R,2S)-2-methylcyclohexyl]amino]prop-1-enyl]benzoic acid Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3/c1-12-4-2-3-5-16(12)20-17(21)15(11-19)10-13-6-8-14(9-7-13)18(22)23/h6-10,12,16H,2-5H2,1H3,(H,20,21)(H,22,23)/b15-10+/t12-,16+/m0/s1