methyl (2S)-2-(2,5-dimethoxyphenyl)-2-[(2R,5S,6R)-5-(hydroxymethyl)-6-naphthalen-1-yl-3-oxidanylidene-4-(phenylmethyl)piperazin-2-yl]ethanoate

Systemtic Name: methyl (2S)-2-(2,5-dimethoxyphenyl)-2-[(2R,5S,6R)-5-(hydroxymethyl)-6-naphthalen-1-yl-3-oxidanylidene-4-(phenylmethyl)piperazin-2-yl]ethanoate Openeye Name: methyl (2S)-2-[(2R,5S,6R)-4-benzyl-5-(hydroxymethyl)-6-(1-naphthyl)-3-oxo-piperazin-2-yl]-2-(2,5-dimethoxyphenyl)acetate CAS Name: (2S)-2-(2,5-dimethoxyphenyl)-2-[(2R,5S,6R)-5-(hydroxymethyl)-6-(1-naphthalenyl)-3-oxo-4-(phenylmethyl)-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl (2S)-2-[(2R,5S,6R)-4-benzyl-5-(hydroxymethyl)-6-naphthalen-1-yl-3-oxopiperazin-2-yl]-2-(2,5-dimethoxyphenyl)acetate Traditional Name: (2S)-2-[(2R,5S,6R)-4-benzyl-3-keto-5-methylol-6-(1-naphthyl)piperazin-2-yl]-2-(2,5-dimethoxyphenyl)acetic acid methyl ester Formula: C33H34N2O6 MolecularWeight: 554.63286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C2C(=O)N(C(C(N2)C3=CC=CC4=CC=CC=C43)CO)CC5=CC=CC=C5)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@@H]([C@@H]2C(=O)N([C@@H]([C@H](N2)C3=CC=CC4=CC=CC=C43)CO)CC5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C33H34N2O6/c1-39-23-16-17-28(40-2)26(18-23)29(33(38)41-3)31-32(37)35(19-21-10-5-4-6-11-21)27(20-36)30(34-31)25-15-9-13-22-12-7-8-14-24(22)25/h4-18,27,29-31,34,36H,19-20H2,1-3H3/t27-,29+,30-,31-/m1/s1