4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzoic acid

Systemtic Name: 4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzoic acid Openeye Name: 4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzoic acid CAS Name: 4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzoic acid IUPAC Name: 4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzoic acid Traditional Name: 4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzoic acid Formula: C19H23NO2 MolecularWeight: 297.39142

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)C(=O)O)NC(C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO2/c1-14(20-15(2)17-6-4-3-5-7-17)8-9-16-10-12-18(13-11-16)19(21)22/h3-7,10-15,20H,8-9H2,1-2H3,(H,21,22)/t14-,15-/m0/s1