3-methyl-3-[[4-[3-(pyridin-2-ylamino)propoxy]phenyl]methyl]pent-4-enoic acid

Systemtic Name: 3-methyl-3-[[4-[3-(pyridin-2-ylamino)propoxy]phenyl]methyl]pent-4-enoic acid Openeye Name: 3-methyl-3-[[4-[3-(2-pyridylamino)propoxy]phenyl]methyl]pent-4-enoic acid CAS Name: 3-methyl-3-[[4-[3-(2-pyridinylamino)propoxy]phenyl]methyl]-4-pentenoic acid IUPAC Name: 3-methyl-3-[[4-[3-(pyridin-2-ylamino)propoxy]phenyl]methyl]pent-4-enoic acid Traditional Name: 3-methyl-3-[4-[3-(2-pyridylamino)propoxy]benzyl]pent-4-enoic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OCCCNC2=CC=CC=N2)(CC(=O)O)C=C

Isomeric SMILES

CC(CC1=CC=C(C=C1)OCCCNC2=CC=CC=N2)(CC(=O)O)C=C

InChI

InChI=1S/C21H26N2O3/c1-3-21(2,16-20(24)25)15-17-8-10-18(11-9-17)26-14-6-13-23-19-7-4-5-12-22-19/h3-5,7-12H,1,6,13-16H2,2H3,(H,22,23)(H,24,25)