methyl 4-[3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]benzoate chloride

Systemtic Name: methyl 4-[3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]benzoate chloride Openeye Name: methyl 4-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]benzoate chloride CAS Name: 4-[2-hydroxy-3-[[2-methyl-1-(2-naphthalenyl)propan-2-yl]amino]propoxy]benzoic acid methyl ester chloride IUPAC Name: methyl 4-[2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]benzoate chloride Traditional Name: 4-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]benzoic acid methyl ester chloride Formula: C25H29ClNO4- MolecularWeight: 442.95506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=CC=C(C=C3)C(=O)OC)O.[Cl-]

Isomeric SMILES

CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=CC=C(C=C3)C(=O)OC)O.[Cl-]

InChI

InChI=1S/C25H29NO4.ClH/c1-25(2,15-18-8-9-19-6-4-5-7-21(19)14-18)26-16-22(27)17-30-23-12-10-20(11-13-23)24(28)29-3;/h4-14,22,26-27H,15-17H2,1-3H3;1H/p-1