methyl (1R,6R)-1-benzamido-6-(1-ethanoylindol-3-yl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1R,6R)-1-benzamido-6-(1-ethanoylindol-3-yl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1R,6R)-6-(1-acetylindol-3-yl)-1-benzamido-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-(1-acetyl-3-indolyl)-1-benzamido-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,6R)-6-(1-acetylindol-3-yl)-1-benzamido-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-(1-acetylindol-3-yl)-1-benzamido-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C2=CN(C3=CC=CC=C32)C(=O)C)(C(=O)OC)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C[C@@]([C@H](C1)C2=CN(C3=CC=CC=C32)C(=O)C)(C(=O)OC)NC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C27H28N2O4/c1-17-14-23(22-16-29(19(3)30)24-13-9-8-12-21(22)24)27(15-18(17)2,26(32)33-4)28-25(31)20-10-6-5-7-11-20/h5-13,16,23H,14-15H2,1-4H3,(H,28,31)/t23-,27-/m1/s1