4-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-[4-(propan-2-ylamino)butoxy]phenyl]benzoic acid

Systemtic Name: 4-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-[4-(propan-2-ylamino)butoxy]phenyl]benzoic acid Openeye Name: 4-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-[4-(isopropylamino)butoxy]phenyl]benzoic acid CAS Name: 4-[3-[3-tert-butyl-4-(1-pyrrolidinyl)phenyl]-4-[4-(propan-2-ylamino)butoxy]phenyl]benzoic acid IUPAC Name: 4-[3-(3-tert-butyl-4-pyrrolidin-1-ylphenyl)-4-[4-(propan-2-ylamino)butoxy]phenyl]benzoic acid Traditional Name: 4-[3-(3-tert-butyl-4-pyrrolidino-phenyl)-4-[4-(isopropylamino)butoxy]phenyl]benzoic acid Formula: C34H44N2O3 MolecularWeight: 528.72476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)C3=CC(=C(C=C3)N4CCCC4)C(C)(C)C

Isomeric SMILES

CC(C)NCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)C3=CC(=C(C=C3)N4CCCC4)C(C)(C)C

InChI

InChI=1S/C34H44N2O3/c1-24(2)35-18-6-9-21-39-32-17-15-27(25-10-12-26(13-11-25)33(37)38)22-29(32)28-14-16-31(36-19-7-8-20-36)30(23-28)34(3,4)5/h10-17,22-24,35H,6-9,18-21H2,1-5H3,(H,37,38)