(1S,6S)-6-[(4-aminocarbonylphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[(4-aminocarbonylphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(4-carbamoylphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[(4-carbamoylanilino)-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[(4-carbamoylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(4-carbamoylphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C17H19N2O4- MolecularWeight: 315.34376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=CC=C(C=C2)C(=O)N)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)C(=O)N)C(=O)[O-])C

InChI

InChI=1S/C17H20N2O4/c1-9-7-13(14(17(22)23)8-10(9)2)16(21)19-12-5-3-11(4-6-12)15(18)20/h3-6,13-14H,7-8H2,1-2H3,(H2,18,20)(H,19,21)(H,22,23)/p-1/t13-,14-/m0/s1