(phenylmethyl) 2-[4-(2-ethoxynaphthalen-1-yl)carbonyl-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(2-ethoxynaphthalen-1-yl)carbonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(2-ethoxynaphthalene-1-carbonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[(2-ethoxy-1-naphthalenyl)-oxomethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(2-ethoxynaphthalene-1-carbonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(2-ethoxy-1-naphthoyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C27H30N2O4 MolecularWeight: 446.5381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N3CCCN(CC3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N3CCCN(CC3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O4/c1-2-32-24-14-13-22-11-6-7-12-23(22)26(24)27(31)29-16-8-15-28(17-18-29)19-25(30)33-20-21-9-4-3-5-10-21/h3-7,9-14H,2,8,15-20H2,1H3