2-diethylaminoethyl 4-(3-azanylidene-1H-isoindol-2-yl)benzoate

Systemtic Name: 2-diethylaminoethyl 4-(3-azanylidene-1H-isoindol-2-yl)benzoate Openeye Name: 2-diethylaminoethyl 4-(1-iminoisoindolin-2-yl)benzoate CAS Name: 4-(3-imino-1H-isoindol-2-yl)benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-(3-imino-1H-isoindol-2-yl)benzoate Traditional Name: 4-(1-iminoisoindolin-2-yl)benzoic acid 2-diethylaminoethyl ester Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=N

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=N

InChI

InChI=1S/C21H25N3O2/c1-3-23(4-2)13-14-26-21(25)16-9-11-18(12-10-16)24-15-17-7-5-6-8-19(17)20(24)22/h5-12,22H,3-4,13-15H2,1-2H3