[1-[methyl(prop-2-ynyl)amino]-6-(phenylcarbonyloxy)-2,3-dihydro-1H-inden-5-yl] benzoate

Systemtic Name: [1-[methyl(prop-2-ynyl)amino]-6-(phenylcarbonyloxy)-2,3-dihydro-1H-inden-5-yl] benzoate Openeye Name: [6-benzoyloxy-1-[methyl(prop-2-ynyl)amino]indan-5-yl] benzoate CAS Name: benzoic acid [6-benzoyloxy-1-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] ester IUPAC Name: [6-benzoyloxy-1-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] benzoate Traditional Name: benzoic acid [6-benzoyloxy-1-[methyl(propargyl)amino]indan-5-yl] ester Formula: C27H23NO4 MolecularWeight: 425.47582

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#C)C1CCC2=CC(=C(C=C12)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CN(CC#C)C1CCC2=CC(=C(C=C12)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H23NO4/c1-3-16-28(2)23-15-14-21-17-24(31-26(29)19-10-6-4-7-11-19)25(18-22(21)23)32-27(30)20-12-8-5-9-13-20/h1,4-13,17-18,23H,14-16H2,2H3