N-[3-[2-(4-ethylphenyl)ethyl-(3-methylbutyl)amino]-2-oxidanyl-propyl]quinoline-4-carboxamide

Systemtic Name: N-[3-[2-(4-ethylphenyl)ethyl-(3-methylbutyl)amino]-2-oxidanyl-propyl]quinoline-4-carboxamide Openeye Name: N-[3-[2-(4-ethylphenyl)ethyl-isopentyl-amino]-2-hydroxy-propyl]quinoline-4-carboxamide CAS Name: N-[3-[2-(4-ethylphenyl)ethyl-(3-methylbutyl)amino]-2-hydroxypropyl]-4-quinolinecarboxamide IUPAC Name: N-[3-[2-(4-ethylphenyl)ethyl-(3-methylbutyl)amino]-2-hydroxypropyl]quinoline-4-carboxamide Traditional Name: N-[3-[2-(4-ethylphenyl)ethyl-isoamyl-amino]-2-hydroxy-propyl]cinchoninamide Formula: C28H37N3O2 MolecularWeight: 447.61228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCN(CCC(C)C)CC(CNC(=O)C2=CC=NC3=CC=CC=C23)O

Isomeric SMILES

CCC1=CC=C(C=C1)CCN(CCC(C)C)CC(CNC(=O)C2=CC=NC3=CC=CC=C23)O

InChI

InChI=1S/C28H37N3O2/c1-4-22-9-11-23(12-10-22)15-18-31(17-14-21(2)3)20-24(32)19-30-28(33)26-13-16-29-27-8-6-5-7-25(26)27/h5-13,16,21,24,32H,4,14-15,17-20H2,1-3H3,(H,30,33)