3-[cyclopropyl-[3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]methyl]benzoic acid

Systemtic Name: 3-[cyclopropyl-[3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]methyl]benzoic acid Openeye Name: 3-[cyclopropyl-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]methyl]benzoic acid CAS Name: 3-[cyclopropyl-[2-hydroxy-3-[[2-methyl-1-(2-naphthalenyl)propan-2-yl]amino]propoxy]methyl]benzoic acid IUPAC Name: 3-[cyclopropyl-[2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]methyl]benzoic acid Traditional Name: 3-[cyclopropyl-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]methyl]benzoic acid Formula: C28H33NO4 MolecularWeight: 447.56592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC(C3CC3)C4=CC=CC(=C4)C(=O)O)O

Isomeric SMILES

CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC(C3CC3)C4=CC=CC(=C4)C(=O)O)O

InChI

InChI=1S/C28H33NO4/c1-28(2,16-19-10-11-20-6-3-4-7-22(20)14-19)29-17-25(30)18-33-26(21-12-13-21)23-8-5-9-24(15-23)27(31)32/h3-11,14-15,21,25-26,29-30H,12-13,16-18H2,1-2H3,(H,31,32)