(1S,6S)-6-[[4-[(2S)-butan-2-yl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[[4-[(2S)-butan-2-yl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[[4-[(1S)-1-methylpropyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[4-[(2S)-butan-2-yl]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[[4-[(2S)-butan-2-yl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[[4-[(1S)-1-methylpropyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C18H22NO3- MolecularWeight: 300.37218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3/c1-3-12(2)13-8-10-14(11-9-13)19-17(20)15-6-4-5-7-16(15)18(21)22/h4-5,8-12,15-16H,3,6-7H2,1-2H3,(H,19,20)(H,21,22)/p-1/t12-,15-,16-/m0/s1