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

Systemtic Name: 2-(6-benzamido-1H-indol-3-yl)-2-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-(6-benzamido-1H-indol-3-yl)-2-[4-[2-(dimethylamino)-2-oxo-ethyl]piperazin-1-yl]acetic acid CAS Name: 2-(6-benzamido-1H-indol-3-yl)-2-[4-[2-(dimethylamino)-2-oxoethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-(6-benzamido-1H-indol-3-yl)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]acetic acid Traditional Name: 2-(6-benzamido-1H-indol-3-yl)-2-[4-[2-(dimethylamino)-2-keto-ethyl]piperazino]acetic acid Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1CCN(CC1)C(C2=CNC3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CN(C)C(=O)CN1CCN(CC1)C(C2=CNC3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H29N5O4/c1-28(2)22(31)16-29-10-12-30(13-11-29)23(25(33)34)20-15-26-21-14-18(8-9-19(20)21)27-24(32)17-6-4-3-5-7-17/h3-9,14-15,23,26H,10-13,16H2,1-2H3,(H,27,32)(H,33,34)