4-[3-(butan-2-ylamino)propyl]-1-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 4-[3-(butan-2-ylamino)propyl]-1-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 1-phenyl-4-[3-(sec-butylamino)propyl]isoquinoline-3-carboxylic acid CAS Name: 4-[3-(butan-2-ylamino)propyl]-1-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 4-[3-(butan-2-ylamino)propyl]-1-phenylisoquinoline-3-carboxylic acid Traditional Name: 1-phenyl-4-[3-(sec-butylamino)propyl]isoquinoline-3-carboxylic acid Formula: C23H26N2O2 MolecularWeight: 362.46474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCCCC1=C(N=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC(C)NCCCC1=C(N=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H26N2O2/c1-3-16(2)24-15-9-14-20-18-12-7-8-13-19(18)21(25-22(20)23(26)27)17-10-5-4-6-11-17/h4-8,10-13,16,24H,3,9,14-15H2,1-2H3,(H,26,27)