2-[4-[3-(dimethylamino)-3-oxidanylidene-propyl]piperazin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[4-[3-(dimethylamino)-3-oxidanylidene-propyl]piperazin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-(5-benzyloxy-1H-indol-3-yl)-2-[4-[3-(dimethylamino)-3-oxo-propyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[3-(dimethylamino)-3-oxopropyl]-1-piperazinyl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-[3-(dimethylamino)-3-oxopropyl]piperazin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-(5-benzoxy-1H-indol-3-yl)-2-[4-[3-(dimethylamino)-3-keto-propyl]piperazino]acetic acid Formula: C26H32N4O4 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCN1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CN(C)C(=O)CCN1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H32N4O4/c1-28(2)24(31)10-11-29-12-14-30(15-13-29)25(26(32)33)22-17-27-23-9-8-20(16-21(22)23)34-18-19-6-4-3-5-7-19/h3-9,16-17,25,27H,10-15,18H2,1-2H3,(H,32,33)