3-methylbutyl 1-[7-(2-chloranylethanoylamino)-5,8-bis(oxidanylidene)quinolin-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: 3-methylbutyl 1-[7-(2-chloranylethanoylamino)-5,8-bis(oxidanylidene)quinolin-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: isopentyl 1-[7-[(2-chloroacetyl)amino]-5,8-dioxo-2-quinolyl]-9H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-[7-[(2-chloro-1-oxoethyl)amino]-5,8-dioxo-2-quinolinyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 1-[7-[(2-chloroacetyl)amino]-5,8-dioxoquinolin-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-[7-[(2-chloroacetyl)amino]-5,8-diketo-2-quinolyl]-9H-$b-carboline-3-carboxylic acid isoamyl ester Formula: C28H23ClN4O5 MolecularWeight: 530.95902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=NC5=C(C=C4)C(=O)C=C(C5=O)NC(=O)CCl

Isomeric SMILES

CC(C)CCOC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=NC5=C(C=C4)C(=O)C=C(C5=O)NC(=O)CCl

InChI

InChI=1S/C28H23ClN4O5/c1-14(2)9-10-38-28(37)21-11-17-15-5-3-4-6-18(15)31-24(17)26(33-21)19-8-7-16-22(34)12-20(30-23(35)13-29)27(36)25(16)32-19/h3-8,11-12,14,31H,9-10,13H2,1-2H3,(H,30,35)