1-benzofuran-3-ylmethyl (2R)-2-(1H-indol-3-ylmethyl)-3-oxidanylidene-4-[(1S)-1-phenylethyl]piperazine-1-carboxylate

Systemtic Name: 1-benzofuran-3-ylmethyl (2R)-2-(1H-indol-3-ylmethyl)-3-oxidanylidene-4-[(1S)-1-phenylethyl]piperazine-1-carboxylate Openeye Name: benzofuran-3-ylmethyl (2R)-2-(1H-indol-3-ylmethyl)-3-oxo-4-[(1S)-1-phenylethyl]piperazine-1-carboxylate CAS Name: (2R)-2-(1H-indol-3-ylmethyl)-3-oxo-4-[(1S)-1-phenylethyl]-1-piperazinecarboxylic acid 3-benzofuranylmethyl ester IUPAC Name: 1-benzofuran-3-ylmethyl (2R)-2-(1H-indol-3-ylmethyl)-3-oxo-4-[(1S)-1-phenylethyl]piperazine-1-carboxylate Traditional Name: (2R)-2-(1H-indol-3-ylmethyl)-3-keto-4-[(1S)-1-phenylethyl]piperazine-1-carboxylic acid benzofuran-3-ylmethyl ester Formula: C31H29N3O4 MolecularWeight: 507.57966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCN(C(C2=O)CC3=CNC4=CC=CC=C43)C(=O)OCC5=COC6=CC=CC=C65

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N2CCN([C@@H](C2=O)CC3=CNC4=CC=CC=C43)C(=O)OCC5=COC6=CC=CC=C65

InChI

InChI=1S/C31H29N3O4/c1-21(22-9-3-2-4-10-22)33-15-16-34(31(36)38-20-24-19-37-29-14-8-6-12-26(24)29)28(30(33)35)17-23-18-32-27-13-7-5-11-25(23)27/h2-14,18-19,21,28,32H,15-17,20H2,1H3/t21-,28+/m0/s1