2-[4-[2-(ethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[4-[2-(ethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-(6-benzyloxy-1H-indol-3-yl)-2-[4-[2-(ethylamino)-2-oxo-ethyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-(ethylamino)-2-oxoethyl]-1-piperazinyl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-(6-benzoxy-1H-indol-3-yl)-2-[4-[2-(ethylamino)-2-keto-ethyl]piperazino]acetic acid Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CN1CCN(CC1)C(C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCNC(=O)CN1CCN(CC1)C(C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H30N4O4/c1-2-26-23(30)16-28-10-12-29(13-11-28)24(25(31)32)21-15-27-22-14-19(8-9-20(21)22)33-17-18-6-4-3-5-7-18/h3-9,14-15,24,27H,2,10-13,16-17H2,1H3,(H,26,30)(H,31,32)