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

Systemtic Name: [[3-(1-aminocarbonyl-3-oxidanylidene-3a,7a-dihydro-1H-isoindol-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propanoyl]amino] 3,3-dimethylbutanoate Openeye Name: [[3-(1-carbamoyl-3-oxo-3a,7a-dihydro-1H-isoindol-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propanoyl]amino] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic 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] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [[3-(1-carbamoyl-3-keto-3a,7a-dihydro-1H-isoindol-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propanoyl]amino] ester Formula: C27H35N3O7 MolecularWeight: 513.5827

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O7/c1-6-36-21-13-16(11-12-20(21)35-5)19(14-22(31)29-37-23(32)15-27(2,3)4)30-24(25(28)33)17-9-7-8-10-18(17)26(30)34/h7-13,17-19,24H,6,14-15H2,1-5H3,(H2,28,33)(H,29,31)