2-diethylaminoethyl 4-(4-aminocarbonylhepta-1,6-dien-4-yl)benzoate

Systemtic Name: 2-diethylaminoethyl 4-(4-aminocarbonylhepta-1,6-dien-4-yl)benzoate Openeye Name: 2-diethylaminoethyl 4-(1-allyl-1-carbamoyl-but-3-enyl)benzoate CAS Name: 4-(4-carbamoylhepta-1,6-dien-4-yl)benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-(4-carbamoylhepta-1,6-dien-4-yl)benzoate Traditional Name: 4-(1-allyl-1-carbamoyl-but-3-enyl)benzoic acid 2-diethylaminoethyl ester Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3/c1-5-13-21(14-6-2,20(22)25)18-11-9-17(10-12-18)19(24)26-16-15-23(7-3)8-4/h5-6,9-12H,1-2,7-8,13-16H2,3-4H3,(H2,22,25)