2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)-1,4-diazepan-1-yl]ethanoic acid

Systemtic Name: 2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)-1,4-diazepan-1-yl]ethanoic acid Openeye Name: 2-(5-benzyloxy-1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]-1,4-diazepan-1-yl]acetic acid CAS Name: 2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)-1,4-diazepan-1-yl]acetic acid IUPAC Name: 2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)-1,4-diazepan-1-yl]acetic acid Traditional Name: 2-(5-benzoxy-1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]-1,4-diazepan-1-yl]acetic acid Formula: C29H32N4O3 MolecularWeight: 484.58938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)O)CCC5=CC=NC=C5

Isomeric SMILES

C1CN(CCN(C1)C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)O)CCC5=CC=NC=C5

InChI

InChI=1S/C29H32N4O3/c34-29(35)28(33-15-4-14-32(17-18-33)16-11-22-9-12-30-13-10-22)26-20-31-27-8-7-24(19-25(26)27)36-21-23-5-2-1-3-6-23/h1-3,5-10,12-13,19-20,28,31H,4,11,14-18,21H2,(H,34,35)