methyl 3-[[3-oxidanylidene-2-(3-propan-2-yloxypropyl)-1H-isoindol-1-yl]amino]-3-(4-phenylmethoxyphenyl)propanoate

Systemtic Name: methyl 3-[[3-oxidanylidene-2-(3-propan-2-yloxypropyl)-1H-isoindol-1-yl]amino]-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: methyl 3-(4-benzyloxyphenyl)-3-[[2-(3-isopropoxypropyl)-3-oxo-isoindolin-1-yl]amino]propanoate CAS Name: 3-[[3-oxo-2-(3-propan-2-yloxypropyl)-1H-isoindol-1-yl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[[3-oxo-2-(3-propan-2-yloxypropyl)-1H-isoindol-1-yl]amino]-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: 3-(4-benzoxyphenyl)-3-[[2-(3-isopropoxypropyl)-3-keto-isoindolin-1-yl]amino]propionic acid methyl ester Formula: C31H36N2O5 MolecularWeight: 516.62794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(C2=CC=CC=C2C1=O)NC(CC(=O)OC)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)OCCCN1C(C2=CC=CC=C2C1=O)NC(CC(=O)OC)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C31H36N2O5/c1-22(2)37-19-9-18-33-30(26-12-7-8-13-27(26)31(33)35)32-28(20-29(34)36-3)24-14-16-25(17-15-24)38-21-23-10-5-4-6-11-23/h4-8,10-17,22,28,30,32H,9,18-21H2,1-3H3