[3-(phenylcarbonyloxy)-2-[(phenylmethyl)amino]but-3-enyl] benzoate hydrochloride

Systemtic Name: [3-(phenylcarbonyloxy)-2-[(phenylmethyl)amino]but-3-enyl] benzoate hydrochloride Openeye Name: [3-benzoyloxy-2-(benzylamino)but-3-enyl] benzoate hydrochloride CAS Name: benzoic acid [3-benzoyloxy-2-[(phenylmethyl)amino]but-3-enyl] ester hydrochloride IUPAC Name: [3-benzoyloxy-2-(benzylamino)but-3-enyl] benzoate hydrochloride Traditional Name: benzoic acid [3-benzoyloxy-2-(benzylamino)but-3-enyl] ester hydrochloride Formula: C25H24ClNO4 MolecularWeight: 437.91536

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(COC(=O)C1=CC=CC=C1)NCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3.Cl

Isomeric SMILES

C=C(C(COC(=O)C1=CC=CC=C1)NCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C25H23NO4.ClH/c1-19(30-25(28)22-15-9-4-10-16-22)23(26-17-20-11-5-2-6-12-20)18-29-24(27)21-13-7-3-8-14-21;/h2-16,23,26H,1,17-18H2;1H