3-[[bis(2-diethylaminoethyl)amino]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[bis(2-diethylaminoethyl)amino]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[bis(2-diethylaminoethyl)amino]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[bis(2-diethylaminoethyl)amino]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[bis(2-diethylaminoethyl)amino]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[bis(2-diethylaminoethyl)amino]methyl]-2-phenyl-cinchoninic acid Formula: C29H40N4O2 MolecularWeight: 476.6535

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N4O2/c1-5-31(6-2)18-20-33(21-19-32(7-3)8-4)22-25-27(29(34)35)24-16-12-13-17-26(24)30-28(25)23-14-10-9-11-15-23/h9-17H,5-8,18-22H2,1-4H3,(H,34,35)