[1-[2-(6-methoxy-5-methyl-naphthalen-1-yl)ethyl]pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [1-[2-(6-methoxy-5-methyl-naphthalen-1-yl)ethyl]pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [1-[2-(6-methoxy-5-methyl-1-naphthyl)ethyl]pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[2-(6-methoxy-5-methyl-1-naphthalenyl)ethyl]-3-pyrrolidinyl]methyl ester IUPAC Name: [1-[2-(6-methoxy-5-methylnaphthalen-1-yl)ethyl]pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-[2-(6-methoxy-5-methyl-1-naphthyl)ethyl]pyrrolidin-3-yl]methyl ester Formula: C26H31NO4S MolecularWeight: 453.59364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(C2)CCC3=CC=CC4=C3C=CC(=C4C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(C2)CCC3=CC=CC4=C3C=CC(=C4C)OC

InChI

InChI=1S/C26H31NO4S/c1-19-7-9-23(10-8-19)32(28,29)31-18-21-13-15-27(17-21)16-14-22-5-4-6-24-20(2)26(30-3)12-11-25(22)24/h4-12,21H,13-18H2,1-3H3