2-[[2,4-bis(oxidanylidene)cyclobutyl]-prop-2-enyl-amino]-3-(1H-indol-3-yl)-2-methyl-butanoic acid

Systemtic Name: 2-[[2,4-bis(oxidanylidene)cyclobutyl]-prop-2-enyl-amino]-3-(1H-indol-3-yl)-2-methyl-butanoic acid Openeye Name: 2-[allyl-(2,4-dioxocyclobutyl)amino]-3-(1H-indol-3-yl)-2-methyl-butanoic acid CAS Name: 2-[(2,4-dioxocyclobutyl)-prop-2-enylamino]-3-(1H-indol-3-yl)-2-methylbutanoic acid IUPAC Name: 2-[(2,4-dioxocyclobutyl)-prop-2-enylamino]-3-(1H-indol-3-yl)-2-methylbutanoic acid Traditional Name: 2-[allyl-(2,4-diketocyclobutyl)amino]-3-(1H-indol-3-yl)-2-methyl-butyric acid Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CNC2=CC=CC=C21)C(C)(C(=O)O)N(CC=C)C3C(=O)CC3=O

Isomeric SMILES

CC(C1=CNC2=CC=CC=C21)C(C)(C(=O)O)N(CC=C)C3C(=O)CC3=O

InChI

InChI=1S/C20H22N2O4/c1-4-9-22(18-16(23)10-17(18)24)20(3,19(25)26)12(2)14-11-21-15-8-6-5-7-13(14)15/h4-8,11-12,18,21H,1,9-10H2,2-3H3,(H,25,26)