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

Systemtic Name: 2-(5-methoxy-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)-1,4-diazepan-1-yl]ethanoic acid Openeye Name: 2-(5-methoxy-1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]-1,4-diazepan-1-yl]acetic acid CAS Name: 2-(5-methoxy-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)-1,4-diazepan-1-yl]acetic acid IUPAC Name: 2-(5-methoxy-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)-1,4-diazepan-1-yl]acetic acid Traditional Name: 2-(5-methoxy-1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]-1,4-diazepan-1-yl]acetic acid Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCCN(CC3)CCC4=CC=NC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCCN(CC3)CCC4=CC=NC=C4

InChI

InChI=1S/C23H28N4O3/c1-30-18-3-4-21-19(15-18)20(16-25-21)22(23(28)29)27-11-2-10-26(13-14-27)12-7-17-5-8-24-9-6-17/h3-6,8-9,15-16,22,25H,2,7,10-14H2,1H3,(H,28,29)