2-[3-(6-methylpyridin-2-yl)propoxy]ethyl 4-[(2-phenylazanylpyridin-3-yl)methyl]piperazine-1-carboxylate

Systemtic Name: 2-[3-(6-methylpyridin-2-yl)propoxy]ethyl 4-[(2-phenylazanylpyridin-3-yl)methyl]piperazine-1-carboxylate Openeye Name: 2-[3-(6-methyl-2-pyridyl)propoxy]ethyl 4-[(2-anilino-3-pyridyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-anilino-3-pyridinyl)methyl]-1-piperazinecarboxylic acid 2-[3-(6-methyl-2-pyridinyl)propoxy]ethyl ester IUPAC Name: 2-[3-(6-methylpyridin-2-yl)propoxy]ethyl 4-[(2-anilinopyridin-3-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(2-anilino-3-pyridyl)methyl]piperazine-1-carboxylic acid 2-[3-(6-methyl-2-pyridyl)propoxy]ethyl ester Formula: C28H35N5O3 MolecularWeight: 489.6092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CCCOCCOC(=O)N2CCN(CC2)CC3=C(N=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC=C1)CCCOCCOC(=O)N2CCN(CC2)CC3=C(N=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C28H35N5O3/c1-23-8-5-12-25(30-23)13-7-19-35-20-21-36-28(34)33-17-15-32(16-18-33)22-24-9-6-14-29-27(24)31-26-10-3-2-4-11-26/h2-6,8-12,14H,7,13,15-22H2,1H3,(H,29,31)