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

Systemtic Name: 2-[4-[2-(2-dimethylaminoethylamino)-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-(2-dimethylaminoethylamino)-2-oxo-ethyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-(2-dimethylaminoethylamino)-2-oxoethyl]-1-piperazinyl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-[2-(2-dimethylaminoethylamino)-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-(2-dimethylaminoethylamino)-2-keto-ethyl]piperazino]acetic acid Formula: C27H35N5O4 MolecularWeight: 493.5979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O4/c1-30(2)11-10-28-25(33)18-31-12-14-32(15-13-31)26(27(34)35)23-17-29-24-16-21(8-9-22(23)24)36-19-20-6-4-3-5-7-20/h3-9,16-17,26,29H,10-15,18-19H2,1-2H3,(H,28,33)(H,34,35)