4-[[5-[3-[(1-naphthalen-1-ylethylamino)methyl]phenyl]pyridin-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-[3-[(1-naphthalen-1-ylethylamino)methyl]phenyl]pyridin-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[5-[3-[[1-(1-naphthyl)ethylamino]methyl]phenyl]-2-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[5-[3-[[1-(1-naphthalenyl)ethylamino]methyl]phenyl]-2-pyridinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[5-[3-[(1-naphthalen-1-ylethylamino)methyl]phenyl]pyridin-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[5-[3-[[1-(1-naphthyl)ethylamino]methyl]phenyl]-2-pyridyl]amino]butyric acid Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NCC3=CC=CC(=C3)C4=CN=C(C=C4)NC(=O)CCC(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NCC3=CC=CC(=C3)C4=CN=C(C=C4)NC(=O)CCC(=O)O

InChI

InChI=1S/C28H27N3O3/c1-19(24-11-5-8-21-7-2-3-10-25(21)24)29-17-20-6-4-9-22(16-20)23-12-13-26(30-18-23)31-27(32)14-15-28(33)34/h2-13,16,18-19,29H,14-15,17H2,1H3,(H,33,34)(H,30,31,32)