tert-butyl N-[3-[4-(cyclopropylcarbonylamino)-3-oxidanylidene-1H-isoindol-2-yl]-3-(3-ethoxy-4-methoxy-phenyl)propoxy]carbonylcarbamate

Systemtic Name: tert-butyl N-[3-[4-(cyclopropylcarbonylamino)-3-oxidanylidene-1H-isoindol-2-yl]-3-(3-ethoxy-4-methoxy-phenyl)propoxy]carbonylcarbamate Openeye Name: [3-[7-(cyclopropanecarbonylamino)-1-oxo-isoindolin-2-yl]-3-(3-ethoxy-4-methoxy-phenyl)propyl] N-tert-butoxycarbonylcarbamate CAS Name: N-[[3-[4-[[cyclopropyl(oxo)methyl]amino]-3-oxo-1H-isoindol-2-yl]-3-(3-ethoxy-4-methoxyphenyl)propoxy]-oxomethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-(cyclopropanecarbonylamino)-3-oxo-1H-isoindol-2-yl]-3-(3-ethoxy-4-methoxyphenyl)propoxy]carbonylcarbamate Traditional Name: N-tert-butoxycarbonylcarbamic acid [3-[7-(cyclopropanecarbonylamino)-1-keto-isoindolin-2-yl]-3-(3-ethoxy-4-methoxy-phenyl)propyl] ester Formula: C30H37N3O8 MolecularWeight: 567.63008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CCOC(=O)NC(=O)OC(C)(C)C)N2CC3=C(C2=O)C(=CC=C3)NC(=O)C4CC4)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CCOC(=O)NC(=O)OC(C)(C)C)N2CC3=C(C2=O)C(=CC=C3)NC(=O)C4CC4)OC

InChI

InChI=1S/C30H37N3O8/c1-6-39-24-16-19(12-13-23(24)38-5)22(14-15-40-28(36)32-29(37)41-30(2,3)4)33-17-20-8-7-9-21(25(20)27(33)35)31-26(34)18-10-11-18/h7-9,12-13,16,18,22H,6,10-11,14-15,17H2,1-5H3,(H,31,34)(H,32,36,37)