ethyl 4-azanyl-1-(butan-2-yloxycarbonylcarbamoyl)pyrido[3,4-b]indole-9-carboxylate

Systemtic Name: ethyl 4-azanyl-1-(butan-2-yloxycarbonylcarbamoyl)pyrido[3,4-b]indole-9-carboxylate Openeye Name: ethyl 4-amino-1-(sec-butoxycarbonylcarbamoyl)pyrido[3,4-b]indole-9-carboxylate CAS Name: 4-amino-1-[[[butan-2-yloxy(oxo)methyl]amino]-oxomethyl]-9-pyrido[3,4-b]indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-1-(butan-2-yloxycarbonylcarbamoyl)pyrido[3,4-b]indole-9-carboxylate Traditional Name: 4-amino-1-(sec-butoxycarbonylcarbamoyl)-$b-carboline-9-carboxylic acid ethyl ester Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)NC(=O)C1=NC=C(C2=C1N(C3=CC=CC=C32)C(=O)OCC)N

Isomeric SMILES

CCC(C)OC(=O)NC(=O)C1=NC=C(C2=C1N(C3=CC=CC=C32)C(=O)OCC)N

InChI

InChI=1S/C20H22N4O5/c1-4-11(3)29-19(26)23-18(25)16-17-15(13(21)10-22-16)12-8-6-7-9-14(12)24(17)20(27)28-5-2/h6-11H,4-5,21H2,1-3H3,(H,23,25,26)