dimethyl 2-[[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]methyl]propanedioate

Systemtic Name: dimethyl 2-[[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]methyl]propanedioate Openeye Name: dimethyl 2-[[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]methyl]propanedioate CAS Name: 2-[[4-[2-(9-pyrido[3,4-b]indolyl)ethoxy]phenyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]methyl]propanedioate Traditional Name: 2-[4-[2-($b-carbolin-9-yl)ethoxy]benzyl]malonic acid dimethyl ester Formula: C25H24N2O5 MolecularWeight: 432.46846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3C4=C2C=NC=C4)C(=O)OC

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3C4=C2C=NC=C4)C(=O)OC

InChI

InChI=1S/C25H24N2O5/c1-30-24(28)21(25(29)31-2)15-17-7-9-18(10-8-17)32-14-13-27-22-6-4-3-5-19(22)20-11-12-26-16-23(20)27/h3-12,16,21H,13-15H2,1-2H3