9-ethoxycarbonyl-3-[(2-ethoxy-2-oxidanylidene-ethyl)-methyl-carbamoyl]pyrido[3,4-b]indole-4-carboxylic acid

Systemtic Name: 9-ethoxycarbonyl-3-[(2-ethoxy-2-oxidanylidene-ethyl)-methyl-carbamoyl]pyrido[3,4-b]indole-4-carboxylic acid Openeye Name: 9-ethoxycarbonyl-3-[(2-ethoxy-2-oxo-ethyl)-methyl-carbamoyl]pyrido[3,4-b]indole-4-carboxylic acid CAS Name: 9-ethoxycarbonyl-3-[[(2-ethoxy-2-oxoethyl)-methylamino]-oxomethyl]-4-pyrido[3,4-b]indolecarboxylic acid IUPAC Name: 9-ethoxycarbonyl-3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrido[3,4-b]indole-4-carboxylic acid Traditional Name: 9-carbethoxy-3-[(2-ethoxy-2-keto-ethyl)-methyl-carbamoyl]-$b-carboline-4-carboxylic acid Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O7/c1-4-30-15(25)11-23(3)19(26)18-17(20(27)28)16-12-8-6-7-9-13(12)24(14(16)10-22-18)21(29)31-5-2/h6-10H,4-5,11H2,1-3H3,(H,27,28)