1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-[2-[[(2R)-2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]-2-methyl-propyl]phenyl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-[2-[[(2R)-2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]-2-methyl-propyl]phenyl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-[2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-2-methyl-propyl]phenyl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-[2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-2-methylpropyl]phenyl]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-[2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-2-methylpropyl]phenyl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methylol-phenyl)ethyl]amino]-2-methyl-propyl]phenyl]ethanone Formula: C30H36N2O4 MolecularWeight: 488.61784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC(=C1)CC(=O)N2CCC3=CC=CC=C3C2)NCC(C4=CC(=C(C=C4)O)CO)O

Isomeric SMILES

CC(C)(CC1=CC=CC(=C1)CC(=O)N2CCC3=CC=CC=C3C2)NC[C@@H](C4=CC(=C(C=C4)O)CO)O

InChI

InChI=1S/C30H36N2O4/c1-30(2,31-18-28(35)24-10-11-27(34)26(16-24)20-33)17-22-7-5-6-21(14-22)15-29(36)32-13-12-23-8-3-4-9-25(23)19-32/h3-11,14,16,28,31,33-35H,12-13,15,17-20H2,1-2H3/t28-/m0/s1