(1S,6R)-6-[[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-yl-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-yl-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[[4-(1-piperidyl)-3-(p-tolylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[[3-[(4-methylanilino)-oxomethyl]-4-(1-piperidinyl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[[4-piperidino-3-(p-tolylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C27H30N3O4- MolecularWeight: 460.5448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3CC=CCC3C(=O)[O-])N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])N4CCCCC4

InChI

InChI=1S/C27H31N3O4/c1-18-9-11-19(12-10-18)28-26(32)23-17-20(13-14-24(23)30-15-5-2-6-16-30)29-25(31)21-7-3-4-8-22(21)27(33)34/h3-4,9-14,17,21-22H,2,5-8,15-16H2,1H3,(H,28,32)(H,29,31)(H,33,34)/p-1/t21-,22+/m1/s1