[1-(4-oxidanylidene-2-phenyl-chromen-7-yl)oxy-3-(propan-2-ylamino)propan-2-yl] benzoate hydrochloride

Systemtic Name: [1-(4-oxidanylidene-2-phenyl-chromen-7-yl)oxy-3-(propan-2-ylamino)propan-2-yl] benzoate hydrochloride Openeye Name: [1-[(isopropylamino)methyl]-2-(4-oxo-2-phenyl-chromen-7-yl)oxy-ethyl] benzoate hydrochloride CAS Name: benzoic acid [1-[(4-oxo-2-phenyl-1-benzopyran-7-yl)oxy]-3-(propan-2-ylamino)propan-2-yl] ester hydrochloride IUPAC Name: [1-(4-oxo-2-phenylchromen-7-yl)oxy-3-(propan-2-ylamino)propan-2-yl] benzoate hydrochloride Traditional Name: benzoic acid [1-[(isopropylamino)methyl]-2-(4-keto-2-phenyl-chromen-7-yl)oxy-ethyl] ester hydrochloride Formula: C28H28ClNO5 MolecularWeight: 493.97862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4.Cl

Isomeric SMILES

CC(C)NCC(COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C28H27NO5.ClH/c1-19(2)29-17-23(33-28(31)21-11-7-4-8-12-21)18-32-22-13-14-24-25(30)16-26(34-27(24)15-22)20-9-5-3-6-10-20;/h3-16,19,23,29H,17-18H2,1-2H3;1H