2-[3-[2-(acetamidomethyl)-4-pyrrolidin-1-yl-phenyl]-4-methoxy-phenyl]ethanoic acid

Systemtic Name: 2-[3-[2-(acetamidomethyl)-4-pyrrolidin-1-yl-phenyl]-4-methoxy-phenyl]ethanoic acid Openeye Name: 2-[3-[2-(acetamidomethyl)-4-pyrrolidin-1-yl-phenyl]-4-methoxy-phenyl]acetic acid CAS Name: 2-[3-[2-(acetamidomethyl)-4-(1-pyrrolidinyl)phenyl]-4-methoxyphenyl]acetic acid IUPAC Name: 2-[3-[2-(acetamidomethyl)-4-pyrrolidin-1-ylphenyl]-4-methoxyphenyl]acetic acid Traditional Name: 2-[3-[2-(acetamidomethyl)-4-pyrrolidino-phenyl]-4-methoxy-phenyl]acetic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=C(C=CC(=C1)N2CCCC2)C3=C(C=CC(=C3)CC(=O)O)OC

Isomeric SMILES

CC(=O)NCC1=C(C=CC(=C1)N2CCCC2)C3=C(C=CC(=C3)CC(=O)O)OC

InChI

InChI=1S/C22H26N2O4/c1-15(25)23-14-17-13-18(24-9-3-4-10-24)6-7-19(17)20-11-16(12-22(26)27)5-8-21(20)28-2/h5-8,11,13H,3-4,9-10,12,14H2,1-2H3,(H,23,25)(H,26,27)