[4-[(3R)-3-[[(2S)-2-oxidanyl-2-phenyl-ethyl]amino]butyl]phenyl] 2-methylpropanoate

Systemtic Name: [4-[(3R)-3-[[(2S)-2-oxidanyl-2-phenyl-ethyl]amino]butyl]phenyl] 2-methylpropanoate Openeye Name: [4-[(3R)-3-[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]butyl]phenyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [4-[(3R)-3-[[(2S)-2-hydroxy-2-phenylethyl]amino]butyl]phenyl] ester IUPAC Name: [4-[(3R)-3-[[(2S)-2-hydroxy-2-phenylethyl]amino]butyl]phenyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [4-[(3R)-3-[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]butyl]phenyl] ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=CC=C(C=C1)CCC(C)NCC(C2=CC=CC=C2)O

Isomeric SMILES

C[C@H](CCC1=CC=C(C=C1)OC(=O)C(C)C)NC[C@H](C2=CC=CC=C2)O

InChI

InChI=1S/C22H29NO3/c1-16(2)22(25)26-20-13-11-18(12-14-20)10-9-17(3)23-15-21(24)19-7-5-4-6-8-19/h4-8,11-14,16-17,21,23-24H,9-10,15H2,1-3H3/t17-,21-/m1/s1