4-(butylamino)-2,9-dimethyl-pyrido[2,3-b]indole-3-carboxylic acid

Systemtic Name: 4-(butylamino)-2,9-dimethyl-pyrido[2,3-b]indole-3-carboxylic acid Openeye Name: 4-(butylamino)-2,9-dimethyl-pyrido[2,3-b]indole-3-carboxylic acid CAS Name: 4-(butylamino)-2,9-dimethyl-3-pyrido[2,3-b]indolecarboxylic acid IUPAC Name: 4-(butylamino)-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid Traditional Name: 4-(butylamino)-2,9-dimethyl-pyrid[2,3-b]indole-3-carboxylic acid Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C2C3=CC=CC=C3N(C2=NC(=C1C(=O)O)C)C

Isomeric SMILES

CCCCNC1=C2C3=CC=CC=C3N(C2=NC(=C1C(=O)O)C)C

InChI

InChI=1S/C18H21N3O2/c1-4-5-10-19-16-14(18(22)23)11(2)20-17-15(16)12-8-6-7-9-13(12)21(17)3/h6-9H,4-5,10H2,1-3H3,(H,19,20)(H,22,23)