2-diethylaminoethyl 4-[(3E)-3-[(4-chlorophenyl)carbamoylimino]-1H-isoindol-2-yl]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(3E)-3-[(4-chlorophenyl)carbamoylimino]-1H-isoindol-2-yl]benzoate Openeye Name: 2-diethylaminoethyl 4-[(1E)-1-[(4-chlorophenyl)carbamoylimino]isoindolin-2-yl]benzoate CAS Name: 4-[(3E)-3-[(4-chloroanilino)-oxomethyl]imino-1H-isoindol-2-yl]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(3E)-3-[(4-chlorophenyl)carbamoylimino]-1H-isoindol-2-yl]benzoate Traditional Name: 4-[(1E)-1-[(4-chlorophenyl)carbamoylimino]isoindolin-2-yl]benzoic acid 2-diethylaminoethyl ester Formula: C28H29ClN4O3 MolecularWeight: 505.00786

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)N\2CC3=CC=CC=C3/C2=N\C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H29ClN4O3/c1-3-32(4-2)17-18-36-27(34)20-9-15-24(16-10-20)33-19-21-7-5-6-8-25(21)26(33)31-28(35)30-23-13-11-22(29)12-14-23/h5-16H,3-4,17-19H2,1-2H3,(H,30,35)/b31-26+