3-[2,4-dimethyl-9-[[4-[2-(4-methylpiperazin-1-yl)-1-(oxan-4-yl)-2-oxidanylidene-ethyl]phenyl]methyl]pyrido[2,3-b]indol-3-yl]propanoic acid

Systemtic Name: 3-[2,4-dimethyl-9-[[4-[2-(4-methylpiperazin-1-yl)-1-(oxan-4-yl)-2-oxidanylidene-ethyl]phenyl]methyl]pyrido[2,3-b]indol-3-yl]propanoic acid Openeye Name: 3-[2,4-dimethyl-9-[[4-[2-(4-methylpiperazin-1-yl)-2-oxo-1-tetrahydropyran-4-yl-ethyl]phenyl]methyl]pyrido[2,3-b]indol-3-yl]propanoic acid CAS Name: 3-[2,4-dimethyl-9-[[4-[2-(4-methyl-1-piperazinyl)-1-(4-oxanyl)-2-oxoethyl]phenyl]methyl]-3-pyrido[2,3-b]indolyl]propanoic acid IUPAC Name: 3-[2,4-dimethyl-9-[[4-[2-(4-methylpiperazin-1-yl)-1-(oxan-4-yl)-2-oxoethyl]phenyl]methyl]pyrido[2,3-b]indol-3-yl]propanoic acid Traditional Name: 3-[9-[4-[2-keto-2-(4-methylpiperazino)-1-tetrahydropyran-4-yl-ethyl]benzyl]-2,4-dimethyl-pyrid[2,3-b]indol-3-yl]propionic acid Formula: C35H42N4O4 MolecularWeight: 582.73238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C3=CC=CC=C3N(C2=NC(=C1CCC(=O)O)C)CC4=CC=C(C=C4)C(C5CCOCC5)C(=O)N6CCN(CC6)C

Isomeric SMILES

CC1=C2C3=CC=CC=C3N(C2=NC(=C1CCC(=O)O)C)CC4=CC=C(C=C4)C(C5CCOCC5)C(=O)N6CCN(CC6)C

InChI

InChI=1S/C35H42N4O4/c1-23-28(12-13-31(40)41)24(2)36-34-32(23)29-6-4-5-7-30(29)39(34)22-25-8-10-26(11-9-25)33(27-14-20-43-21-15-27)35(42)38-18-16-37(3)17-19-38/h4-11,27,33H,12-22H2,1-3H3,(H,40,41)