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

Systemtic Name: (1R,6S)-6-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[[4-(isovalerylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C19H23N2O4- MolecularWeight: 343.39692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CC=CCC2C(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-]

InChI

InChI=1S/C19H24N2O4/c1-12(2)11-17(22)20-13-7-9-14(10-8-13)21-18(23)15-5-3-4-6-16(15)19(24)25/h3-4,7-10,12,15-16H,5-6,11H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/p-1/t15-,16+/m0/s1