2-acetyloxybenzoic acid; [2-(aminocarbonyloxymethyl)-2-methyl-pentyl] carbamate; ethyl 1-methyl-4-phenyl-azepane-4-carboxylate

Systemtic Name: 2-acetyloxybenzoic acid; [2-(aminocarbonyloxymethyl)-2-methyl-pentyl] carbamate; ethyl 1-methyl-4-phenyl-azepane-4-carboxylate Openeye Name: 2-acetoxybenzoic acid; [2-(carbamoyloxymethyl)-2-methyl-pentyl] carbamate; ethyl 1-methyl-4-phenyl-azepane-4-carboxylate CAS Name: 2-acetyloxybenzoic acid; carbamic acid [2-(carbamoyloxymethyl)-2-methylpentyl] ester; 1-methyl-4-phenyl-4-azepanecarboxylic acid ethyl ester IUPAC Name: 2-acetyloxybenzoic acid; [2-(carbamoyloxymethyl)-2-methylpentyl] carbamate; ethyl 1-methyl-4-phenylazepane-4-carboxylate Traditional Name: 2-acetoxybenzoic acid; carbamic acid [2-(carbamoyloxymethyl)-2-methyl-pentyl] ester; 1-methyl-4-phenyl-azepane-4-carboxylic acid ethyl ester Formula: C34H49N3O10 MolecularWeight: 659.76696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(COC(=O)N)COC(=O)N.CCOC(=O)C1(CCCN(CC1)C)C2=CC=CC=C2.CC(=O)OC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCC(C)(COC(=O)N)COC(=O)N.CCOC(=O)C1(CCCN(CC1)C)C2=CC=CC=C2.CC(=O)OC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C16H23NO2.C9H18N2O4.C9H8O4/c1-3-19-15(18)16(14-8-5-4-6-9-14)10-7-12-17(2)13-11-16;1-3-4-9(2,5-14-7(10)12)6-15-8(11)13;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h4-6,8-9H,3,7,10-13H2,1-2H3;3-6H2,1-2H3,(H2,10,12)(H2,11,13);2-5H,1H3,(H,11,12)