(phenylmethyl) 2-[4-[2-(4-methylphenoxy)pyridin-3-yl]carbonyl-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[2-(4-methylphenoxy)pyridin-3-yl]carbonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-[2-(4-methylphenoxy)pyridine-3-carbonyl]-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[[2-(4-methylphenoxy)-3-pyridinyl]-oxomethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[2-(4-methylphenoxy)pyridine-3-carbonyl]-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-[2-(4-methylphenoxy)nicotinoyl]-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)N3CCCN(CC3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)N3CCCN(CC3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4/c1-21-10-12-23(13-11-21)34-26-24(9-5-14-28-26)27(32)30-16-6-15-29(17-18-30)19-25(31)33-20-22-7-3-2-4-8-22/h2-5,7-14H,6,15-20H2,1H3