5-[4-[2-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]propyl]phenyl]naphthalene-1-carboxylic acid

Systemtic Name: 5-[4-[2-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]propyl]phenyl]naphthalene-1-carboxylic acid Openeye Name: 5-[4-[2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]propyl]phenyl]naphthalene-1-carboxylic acid CAS Name: 5-[4-[2-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]propyl]phenyl]-1-naphthalenecarboxylic acid IUPAC Name: 5-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]propyl]phenyl]naphthalene-1-carboxylic acid Traditional Name: 5-[4-[2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]propyl]phenyl]-1-naphthoic acid Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C2=CC=CC3=C2C=CC=C3C(=O)O)NCC(C4=CN=CC=C4)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)C2=CC=CC3=C2C=CC=C3C(=O)O)NCC(C4=CN=CC=C4)O

InChI

InChI=1S/C27H26N2O3/c1-18(29-17-26(30)21-5-4-14-28-16-21)15-19-10-12-20(13-11-19)22-6-2-8-24-23(22)7-3-9-25(24)27(31)32/h2-14,16,18,26,29-30H,15,17H2,1H3,(H,31,32)