ethyl 4-ethenyl-3-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl]pyrido[3,4-b]indole-9-carboxylate

Systemtic Name: ethyl 4-ethenyl-3-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl]pyrido[3,4-b]indole-9-carboxylate Openeye Name: ethyl 3-[(2-ethoxy-2-oxo-ethyl)carbamoyl]-4-vinyl-pyrido[3,4-b]indole-9-carboxylate CAS Name: 4-ethenyl-3-[[(2-ethoxy-2-oxoethyl)amino]-oxomethyl]-9-pyrido[3,4-b]indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethenyl-3-[(2-ethoxy-2-oxoethyl)carbamoyl]pyrido[3,4-b]indole-9-carboxylate Traditional Name: 3-[(2-ethoxy-2-keto-ethyl)carbamoyl]-4-vinyl-$b-carboline-9-carboxylic acid ethyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C1=NC=C2C(=C1C=C)C3=CC=CC=C3N2C(=O)OCC

Isomeric SMILES

CCOC(=O)CNC(=O)C1=NC=C2C(=C1C=C)C3=CC=CC=C3N2C(=O)OCC

InChI

InChI=1S/C21H21N3O5/c1-4-13-18-14-9-7-8-10-15(14)24(21(27)29-6-3)16(18)11-22-19(13)20(26)23-12-17(25)28-5-2/h4,7-11H,1,5-6,12H2,2-3H3,(H,23,26)