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

Systemtic Name: [1-(4-oxidanylidene-2-phenyl-chromen-7-yl)oxy-3-[(phenylmethyl)-propan-2-yl-amino]propan-2-yl] benzoate Openeye Name: [1-[[benzyl(isopropyl)amino]methyl]-2-(4-oxo-2-phenyl-chromen-7-yl)oxy-ethyl] benzoate CAS Name: benzoic acid [1-[(4-oxo-2-phenyl-1-benzopyran-7-yl)oxy]-3-[(phenylmethyl)-propan-2-ylamino]propan-2-yl] ester IUPAC Name: [1-[benzyl(propan-2-yl)amino]-3-(4-oxo-2-phenylchromen-7-yl)oxypropan-2-yl] benzoate Traditional Name: benzoic acid [1-[[benzyl(isopropyl)amino]methyl]-2-(4-keto-2-phenyl-chromen-7-yl)oxy-ethyl] ester Formula: C35H33NO5 MolecularWeight: 547.64022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)CC(COC2=CC3=C(C=C2)C(=O)C=C(O3)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)CC(COC2=CC3=C(C=C2)C(=O)C=C(O3)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C35H33NO5/c1-25(2)36(22-26-12-6-3-7-13-26)23-30(40-35(38)28-16-10-5-11-17-28)24-39-29-18-19-31-32(37)21-33(41-34(31)20-29)27-14-8-4-9-15-27/h3-21,25,30H,22-24H2,1-2H3