methyl 3-[(2S)-4-methoxy-4-oxidanylidene-butan-2-yl]-1-(phenylmethyl)indole-5-carboxylate

Systemtic Name: methyl 3-[(2S)-4-methoxy-4-oxidanylidene-butan-2-yl]-1-(phenylmethyl)indole-5-carboxylate Openeye Name: methyl 1-benzyl-3-[(1S)-3-methoxy-1-methyl-3-oxo-propyl]indole-5-carboxylate CAS Name: 3-[(2S)-4-methoxy-4-oxobutan-2-yl]-1-(phenylmethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-3-[(2S)-4-methoxy-4-oxobutan-2-yl]indole-5-carboxylate Traditional Name: 1-benzyl-3-[(1S)-3-keto-3-methoxy-1-methyl-propyl]indole-5-carboxylic acid methyl ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C1=CN(C2=C1C=C(C=C2)C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](CC(=O)OC)C1=CN(C2=C1C=C(C=C2)C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C22H23NO4/c1-15(11-21(24)26-2)19-14-23(13-16-7-5-4-6-8-16)20-10-9-17(12-18(19)20)22(25)27-3/h4-10,12,14-15H,11,13H2,1-3H3/t15-/m0/s1