methyl 2-[[1-[(3-cyanophenyl)methyl]indol-2-yl]carbonyl-(pyridin-4-ylmethyl)amino]ethanoate

Systemtic Name: methyl 2-[[1-[(3-cyanophenyl)methyl]indol-2-yl]carbonyl-(pyridin-4-ylmethyl)amino]ethanoate Openeye Name: methyl 2-[[1-[(3-cyanophenyl)methyl]indole-2-carbonyl]-(4-pyridylmethyl)amino]acetate CAS Name: 2-[[[1-[(3-cyanophenyl)methyl]-2-indolyl]-oxomethyl]-(pyridin-4-ylmethyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[[1-[(3-cyanophenyl)methyl]indole-2-carbonyl]-(pyridin-4-ylmethyl)amino]acetate Traditional Name: 2-[[1-(3-cyanobenzyl)indole-2-carbonyl]-(4-pyridylmethyl)amino]acetic acid methyl ester Formula: C26H22N4O3 MolecularWeight: 438.47788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CC1=CC=NC=C1)C(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC(=C4)C#N

Isomeric SMILES

COC(=O)CN(CC1=CC=NC=C1)C(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H22N4O3/c1-33-25(31)18-29(16-19-9-11-28-12-10-19)26(32)24-14-22-7-2-3-8-23(22)30(24)17-21-6-4-5-20(13-21)15-27/h2-14H,16-18H2,1H3