2-diethylaminoethyl 2-[2-azanyl-3-(4-bromophenyl)carbonyl-phenyl]ethanoate; ethanoic acid

Systemtic Name: 2-diethylaminoethyl 2-[2-azanyl-3-(4-bromophenyl)carbonyl-phenyl]ethanoate; ethanoic acid Openeye Name: acetic acid; 2-diethylaminoethyl 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate CAS Name: acetic acid; 2-[2-amino-3-[(4-bromophenyl)-oxomethyl]phenyl]acetic acid 2-diethylaminoethyl ester IUPAC Name: acetic acid; 2-diethylaminoethyl 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate Traditional Name: acetic acid; 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetic acid 2-diethylaminoethyl ester Formula: C23H29BrN2O5 MolecularWeight: 493.39076

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)CC1=CC=CC(=C1N)C(=O)C2=CC=C(C=C2)Br.CC(=O)O

Isomeric SMILES

CCN(CC)CCOC(=O)CC1=CC=CC(=C1N)C(=O)C2=CC=C(C=C2)Br.CC(=O)O

InChI

InChI=1S/C21H25BrN2O3.C2H4O2/c1-3-24(4-2)12-13-27-19(25)14-16-6-5-7-18(20(16)23)21(26)15-8-10-17(22)11-9-15;1-2(3)4/h5-11H,3-4,12-14,23H2,1-2H3;1H3,(H,3,4)