(phenylmethyl) 2-[4-(4-cyclohex-2-en-1-yloxyphenyl)carbonyl-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(4-cyclohex-2-en-1-yloxyphenyl)carbonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(4-cyclohex-2-en-1-yloxybenzoyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[[4-(1-cyclohex-2-enyloxy)phenyl]-oxomethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(4-cyclohex-2-en-1-yloxybenzoyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(4-cyclohex-2-en-1-yloxybenzoyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=CC(C1)OC2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC=CC(C1)OC2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O4/c30-26(32-21-22-8-3-1-4-9-22)20-28-16-7-17-29(19-18-28)27(31)23-12-14-25(15-13-23)33-24-10-5-2-6-11-24/h1,3-5,8-10,12-15,24H,2,6-7,11,16-21H2