ethyl 3-[[3-oxidanylidene-2-(pyridin-3-ylmethyl)-1H-isoindol-4-yl]carbonylamino]-3-(4-propan-2-yloxyphenyl)propanoate

Systemtic Name: ethyl 3-[[3-oxidanylidene-2-(pyridin-3-ylmethyl)-1H-isoindol-4-yl]carbonylamino]-3-(4-propan-2-yloxyphenyl)propanoate Openeye Name: ethyl 3-(4-isopropoxyphenyl)-3-[[3-oxo-2-(3-pyridylmethyl)isoindoline-4-carbonyl]amino]propanoate CAS Name: 3-[[oxo-[3-oxo-2-(3-pyridinylmethyl)-1H-isoindol-4-yl]methyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carbonyl]amino]-3-(4-propan-2-yloxyphenyl)propanoate Traditional Name: 3-(4-isopropoxyphenyl)-3-[[3-keto-2-(3-pyridylmethyl)isoindoline-4-carbonyl]amino]propionic acid ethyl ester Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=C(C=C1)OC(C)C)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)CC(C1=CC=C(C=C1)OC(C)C)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4=CN=CC=C4

InChI

InChI=1S/C29H31N3O5/c1-4-36-26(33)15-25(21-10-12-23(13-11-21)37-19(2)3)31-28(34)24-9-5-8-22-18-32(29(35)27(22)24)17-20-7-6-14-30-16-20/h5-14,16,19,25H,4,15,17-18H2,1-3H3,(H,31,34)