3-methyl-2-phenyl-quinoline-4-carboxylic acid; 2-phenylethanamine

Systemtic Name: 3-methyl-2-phenyl-quinoline-4-carboxylic acid; 2-phenylethanamine Openeye Name: 3-methyl-2-phenyl-quinoline-4-carboxylic acid; 2-phenylethanamine CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid; 2-phenylethanamine IUPAC Name: 3-methyl-2-phenylquinoline-4-carboxylic acid; 2-phenylethanamine Traditional Name: 3-methyl-2-phenyl-cinchoninic acid; phenethylamine Formula: C25H24N2O2 MolecularWeight: 384.47026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O.C1=CC=C(C=C1)CCN

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O.C1=CC=C(C=C1)CCN

InChI

InChI=1S/C17H13NO2.C8H11N/c1-11-15(17(19)20)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12;9-7-6-8-4-2-1-3-5-8/h2-10H,1H3,(H,19,20);1-5H,6-7,9H2