2-(3-oxidanylidenepiperazin-1-yl)-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-(3-oxidanylidenepiperazin-1-yl)-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-(6-benzyloxy-1H-indol-3-yl)-2-(3-oxopiperazin-1-yl)acetic acid CAS Name: 2-(3-oxo-1-piperazinyl)-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-(3-oxopiperazin-1-yl)-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-(6-benzoxy-1H-indol-3-yl)-2-(3-ketopiperazino)acetic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CC(=O)N1)C(C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H21N3O4/c25-19-12-24(9-8-22-19)20(21(26)27)17-11-23-18-10-15(6-7-16(17)18)28-13-14-4-2-1-3-5-14/h1-7,10-11,20,23H,8-9,12-13H2,(H,22,25)(H,26,27)