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

Systemtic Name: methyl 4-[(3S)-3-[[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]butyl]benzoate Openeye Name: methyl 4-[(3S)-3-[[(2R)-2-hydroxy-2-phenyl-ethyl]amino]butyl]benzoate CAS Name: 4-[(3S)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]butyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3S)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]butyl]benzoate Traditional Name: 4-[(3S)-3-[[(2R)-2-hydroxy-2-phenyl-ethyl]amino]butyl]benzoic acid methyl ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)C(=O)OC)NCC(C2=CC=CC=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3/c1-15(21-14-19(22)17-6-4-3-5-7-17)8-9-16-10-12-18(13-11-16)20(23)24-2/h3-7,10-13,15,19,21-22H,8-9,14H2,1-2H3/t15-,19-/m0/s1