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

Systemtic Name: methyl 2-[3-chloranyl-4-[3-oxidanyl-4-[(phenylmethyl)amino]pyrrolidin-1-yl]phenyl]propanoate Openeye Name: methyl 2-[4-[3-(benzylamino)-4-hydroxy-pyrrolidin-1-yl]-3-chloro-phenyl]propanoate CAS Name: 2-[3-chloro-4-[3-hydroxy-4-[(phenylmethyl)amino]-1-pyrrolidinyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[4-[3-(benzylamino)-4-hydroxypyrrolidin-1-yl]-3-chlorophenyl]propanoate Traditional Name: 2-[4-[3-(benzylamino)-4-hydroxy-pyrrolidino]-3-chloro-phenyl]propionic acid methyl ester Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O3/c1-14(21(26)27-2)16-8-9-19(17(22)10-16)24-12-18(20(25)13-24)23-11-15-6-4-3-5-7-15/h3-10,14,18,20,23,25H,11-13H2,1-2H3