2-ethylhexyl 4-[(4-acetamidophenyl)methyl]-1,4-diazepane-1-carboxylate

Systemtic Name: 2-ethylhexyl 4-[(4-acetamidophenyl)methyl]-1,4-diazepane-1-carboxylate Openeye Name: 2-ethylhexyl 4-[(4-acetamidophenyl)methyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(4-acetamidophenyl)methyl]-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-[(4-acetamidophenyl)methyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-(4-acetamidobenzyl)-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester Formula: C23H37N3O3 MolecularWeight: 403.55818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)N1CCCN(CC1)CC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCCCC(CC)COC(=O)N1CCCN(CC1)CC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C23H37N3O3/c1-4-6-8-20(5-2)18-29-23(28)26-14-7-13-25(15-16-26)17-21-9-11-22(12-10-21)24-19(3)27/h9-12,20H,4-8,13-18H2,1-3H3,(H,24,27)