[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl] 4-azanyl-5-chloranyl-2-ethoxy-benzoate

Systemtic Name: [1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl] 4-azanyl-5-chloranyl-2-ethoxy-benzoate Openeye Name: (1-benzyl-4-methyl-1,4-diazepan-6-yl) 4-amino-5-chloro-2-ethoxy-benzoate CAS Name: 4-amino-5-chloro-2-ethoxybenzoic acid [1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl] ester IUPAC Name: (1-benzyl-4-methyl-1,4-diazepan-6-yl) 4-amino-5-chloro-2-ethoxybenzoate Traditional Name: 4-amino-5-chloro-2-ethoxy-benzoic acid (1-benzyl-4-methyl-1,4-diazepan-6-yl) ester Formula: C22H28ClN3O3 MolecularWeight: 417.92902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C(=O)OC2CN(CCN(C2)CC3=CC=CC=C3)C)Cl)N

Isomeric SMILES

CCOC1=CC(=C(C=C1C(=O)OC2CN(CCN(C2)CC3=CC=CC=C3)C)Cl)N

InChI

InChI=1S/C22H28ClN3O3/c1-3-28-21-12-20(24)19(23)11-18(21)22(27)29-17-14-25(2)9-10-26(15-17)13-16-7-5-4-6-8-16/h4-8,11-12,17H,3,9-10,13-15,24H2,1-2H3