phenylcarbonyl 3-(dibutylamino)-2-[(E)-prop-1-enyl]-1-benzofuran-5-carboxylate hydrochloride

Systemtic Name: phenylcarbonyl 3-(dibutylamino)-2-[(E)-prop-1-enyl]-1-benzofuran-5-carboxylate hydrochloride Openeye Name: benzoyl 3-(dibutylamino)-2-[(E)-prop-1-enyl]benzofuran-5-carboxylate hydrochloride CAS Name: 3-(dibutylamino)-2-[(E)-prop-1-enyl]-5-benzofurancarboxylic acid benzoyl ester hydrochloride IUPAC Name: benzoyl 3-(dibutylamino)-2-[(E)-prop-1-enyl]-1-benzofuran-5-carboxylate hydrochloride Traditional Name: 3-(dibutylamino)-2-[(E)-prop-1-enyl]benzofuran-5-carboxylic acid benzoyl ester hydrochloride Formula: C27H32ClNO4 MolecularWeight: 470.00028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=C(OC2=C1C=C(C=C2)C(=O)OC(=O)C3=CC=CC=C3)C=CC.Cl

Isomeric SMILES

CCCCN(CCCC)C1=C(OC2=C1C=C(C=C2)C(=O)OC(=O)C3=CC=CC=C3)/C=C/C.Cl

InChI

InChI=1S/C27H31NO4.ClH/c1-4-7-17-28(18-8-5-2)25-22-19-21(15-16-23(22)31-24(25)12-6-3)27(30)32-26(29)20-13-10-9-11-14-20;/h6,9-16,19H,4-5,7-8,17-18H2,1-3H3;1H/b12-6+;