methyl 5-bromanyl-1-[[(1R)-2-oxidanyl-1-phenyl-ethyl]amino]-2,3-dihydroindene-1-carboxylate

Systemtic Name: methyl 5-bromanyl-1-[[(1R)-2-oxidanyl-1-phenyl-ethyl]amino]-2,3-dihydroindene-1-carboxylate Openeye Name: methyl 5-bromo-1-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]indane-1-carboxylate CAS Name: 5-bromo-1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydroindene-1-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydroindene-1-carboxylate Traditional Name: 5-bromo-1-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]indane-1-carboxylic acid methyl ester Formula: C19H20BrNO3 MolecularWeight: 390.271

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCC2=C1C=CC(=C2)Br)NC(CO)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCC2=C1C=CC(=C2)Br)N[C@@H](CO)C3=CC=CC=C3

InChI

InChI=1S/C19H20BrNO3/c1-24-18(23)19(10-9-14-11-15(20)7-8-16(14)19)21-17(12-22)13-5-3-2-4-6-13/h2-8,11,17,21-22H,9-10,12H2,1H3/t17-,19?/m0/s1