2-[4-[5-[[(4-chlorophenyl)-methyl-amino]methyl]-2-methyl-heptan-3-yl]oxy-3-methoxy-phenyl]ethanenitrile

Systemtic Name: 2-[4-[5-[[(4-chlorophenyl)-methyl-amino]methyl]-2-methyl-heptan-3-yl]oxy-3-methoxy-phenyl]ethanenitrile Openeye Name: 2-[4-[3-[(4-chloro-N-methyl-anilino)methyl]-1-isopropyl-pentoxy]-3-methoxy-phenyl]acetonitrile CAS Name: 2-[4-[5-[(4-chloro-N-methylanilino)methyl]-2-methylheptan-3-yl]oxy-3-methoxyphenyl]acetonitrile IUPAC Name: 2-[4-[5-[(4-chloro-N-methylanilino)methyl]-2-methylheptan-3-yl]oxy-3-methoxyphenyl]acetonitrile Traditional Name: 2-[4-[3-[(4-chloro-N-methyl-anilino)methyl]-1-isopropyl-pentoxy]-3-methoxy-phenyl]acetonitrile Formula: C25H33ClN2O2 MolecularWeight: 428.99472

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C(C)C)OC1=C(C=C(C=C1)CC#N)OC)CN(C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(CC(C(C)C)OC1=C(C=C(C=C1)CC#N)OC)CN(C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C25H33ClN2O2/c1-6-19(17-28(4)22-10-8-21(26)9-11-22)15-24(18(2)3)30-23-12-7-20(13-14-27)16-25(23)29-5/h7-12,16,18-19,24H,6,13,15,17H2,1-5H3