methyl (2S)-2-[(1-methylindol-3-yl)methyl]-6-oxidanyl-3-oxidanylidene-4-(phenylmethyl)piperazine-1-carboxylate

Systemtic Name: methyl (2S)-2-[(1-methylindol-3-yl)methyl]-6-oxidanyl-3-oxidanylidene-4-(phenylmethyl)piperazine-1-carboxylate Openeye Name: methyl (2S)-4-benzyl-6-hydroxy-2-[(1-methylindol-3-yl)methyl]-3-oxo-piperazine-1-carboxylate CAS Name: (2S)-6-hydroxy-2-[(1-methyl-3-indolyl)methyl]-3-oxo-4-(phenylmethyl)-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-benzyl-6-hydroxy-2-[(1-methylindol-3-yl)methyl]-3-oxopiperazine-1-carboxylate Traditional Name: (2S)-4-benzyl-6-hydroxy-3-keto-2-[(1-methylindol-3-yl)methyl]piperazine-1-carboxylic acid methyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CC3C(=O)N(CC(N3C(=O)OC)O)CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C[C@H]3C(=O)N(CC(N3C(=O)OC)O)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O4/c1-24-14-17(18-10-6-7-11-19(18)24)12-20-22(28)25(13-16-8-4-3-5-9-16)15-21(27)26(20)23(29)30-2/h3-11,14,20-21,27H,12-13,15H2,1-2H3/t20-,21?/m0/s1