(1S,6S)-6-[[4-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[[4-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[[4-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[4-[(cyclohexylamino)-oxomethyl]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[[4-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[[4-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C21H25N2O4- MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C21H26N2O4/c24-19(22-15-6-2-1-3-7-15)14-10-12-16(13-11-14)23-20(25)17-8-4-5-9-18(17)21(26)27/h4-5,10-13,15,17-18H,1-3,6-9H2,(H,22,24)(H,23,25)(H,26,27)/p-1/t17-,18-/m0/s1