3-[[1-(4-azanylbutyl)-4-methyl-6-oxidanylidene-2-phenyl-2,3-dihydropyridin-5-yl]-propyl-amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[1-(4-azanylbutyl)-4-methyl-6-oxidanylidene-2-phenyl-2,3-dihydropyridin-5-yl]-propyl-amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[1-(4-aminobutyl)-4-methyl-6-oxo-2-phenyl-2,3-dihydropyridin-5-yl]-propyl-amino]-3-oxo-propanoic acid CAS Name: 3-[[1-(4-aminobutyl)-4-methyl-6-oxo-2-phenyl-2,3-dihydropyridin-5-yl]-propylamino]-3-oxopropanoic acid IUPAC Name: 3-[[1-(4-aminobutyl)-4-methyl-6-oxo-2-phenyl-2,3-dihydropyridin-5-yl]-propylamino]-3-oxopropanoic acid Traditional Name: 3-[[1-(4-aminobutyl)-6-keto-4-methyl-2-phenyl-2,3-dihydropyridin-5-yl]-propyl-amino]-3-keto-propionic acid Formula: C22H31N3O4 MolecularWeight: 401.49924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(CC(N(C1=O)CCCCN)C2=CC=CC=C2)C)C(=O)CC(=O)O

Isomeric SMILES

CCCN(C1=C(CC(N(C1=O)CCCCN)C2=CC=CC=C2)C)C(=O)CC(=O)O

InChI

InChI=1S/C22H31N3O4/c1-3-12-25(19(26)15-20(27)28)21-16(2)14-18(17-9-5-4-6-10-17)24(22(21)29)13-8-7-11-23/h4-6,9-10,18H,3,7-8,11-15,23H2,1-2H3,(H,27,28)