[[3-(1-aminocarbonyl-3-oxidanylidene-3a,7a-dihydro-1H-isoindol-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propanoyl]amino] 2-methylpropanoate

Systemtic Name: [[3-(1-aminocarbonyl-3-oxidanylidene-3a,7a-dihydro-1H-isoindol-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propanoyl]amino] 2-methylpropanoate Openeye Name: [[3-(1-carbamoyl-3-oxo-3a,7a-dihydro-1H-isoindol-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propanoyl]amino] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [[3-(1-carbamoyl-3-oxo-3a,7a-dihydro-1H-isoindol-2-yl)-3-(3-ethoxy-4-methoxyphenyl)-1-oxopropyl]amino] ester IUPAC Name: [[3-(1-carbamoyl-3-oxo-3a,7a-dihydro-1H-isoindol-2-yl)-3-(3-ethoxy-4-methoxyphenyl)propanoyl]amino] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [[3-(1-carbamoyl-3-keto-3a,7a-dihydro-1H-isoindol-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propanoyl]amino] ester Formula: C25H31N3O7 MolecularWeight: 485.52954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC(=O)NOC(=O)C(C)C)N2C(C3C=CC=CC3C2=O)C(=O)N)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC(=O)NOC(=O)C(C)C)N2C(C3C=CC=CC3C2=O)C(=O)N)OC

InChI

InChI=1S/C25H31N3O7/c1-5-34-20-12-15(10-11-19(20)33-4)18(13-21(29)27-35-25(32)14(2)3)28-22(23(26)30)16-8-6-7-9-17(16)24(28)31/h6-12,14,16-18,22H,5,13H2,1-4H3,(H2,26,30)(H,27,29)