[2-(4-methylphenyl)carbonyloxy-4-[(1S)-1-oxidanyl-2-(propan-2-ylamino)ethyl]phenyl] 4-methylbenzoate

Systemtic Name: [2-(4-methylphenyl)carbonyloxy-4-[(1S)-1-oxidanyl-2-(propan-2-ylamino)ethyl]phenyl] 4-methylbenzoate Openeye Name: [4-[(1S)-1-hydroxy-2-(isopropylamino)ethyl]-2-(4-methylbenzoyl)oxy-phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]-2-[(4-methylphenyl)-oxomethoxy]phenyl] ester IUPAC Name: [4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(1S)-1-hydroxy-2-(isopropylamino)ethyl]-2-p-toluoyloxy-phenyl] ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(CNC(C)C)O)OC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)[C@@H](CNC(C)C)O)OC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H29NO5/c1-17(2)28-16-23(29)22-13-14-24(32-26(30)20-9-5-18(3)6-10-20)25(15-22)33-27(31)21-11-7-19(4)8-12-21/h5-15,17,23,28-29H,16H2,1-4H3/t23-/m1/s1