2-[3-chloranyl-4-[3-oxidanyl-4-[(phenylmethyl)amino]pyrrolidin-1-yl]phenyl]propanoic acid

Systemtic Name: 2-[3-chloranyl-4-[3-oxidanyl-4-[(phenylmethyl)amino]pyrrolidin-1-yl]phenyl]propanoic acid Openeye Name: 2-[4-[3-(benzylamino)-4-hydroxy-pyrrolidin-1-yl]-3-chloro-phenyl]propanoic acid CAS Name: 2-[3-chloro-4-[3-hydroxy-4-[(phenylmethyl)amino]-1-pyrrolidinyl]phenyl]propanoic acid IUPAC Name: 2-[4-[3-(benzylamino)-4-hydroxypyrrolidin-1-yl]-3-chlorophenyl]propanoic acid Traditional Name: 2-[4-[3-(benzylamino)-4-hydroxy-pyrrolidino]-3-chloro-phenyl]propionic acid Formula: C20H23ClN2O3 MolecularWeight: 374.86122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)N2CC(C(C2)O)NCC3=CC=CC=C3)Cl)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)N2CC(C(C2)O)NCC3=CC=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C20H23ClN2O3/c1-13(20(25)26)15-7-8-18(16(21)9-15)23-11-17(19(24)12-23)22-10-14-5-3-2-4-6-14/h2-9,13,17,19,22,24H,10-12H2,1H3,(H,25,26)