5-[(3-azanyl-2-oxidanyl-4-phenyl-butyl)-[(4-methoxyphenyl)methyl]amino]-4,4-dimethyl-pentanenitrile

Systemtic Name: 5-[(3-azanyl-2-oxidanyl-4-phenyl-butyl)-[(4-methoxyphenyl)methyl]amino]-4,4-dimethyl-pentanenitrile Openeye Name: 5-[(3-amino-2-hydroxy-4-phenyl-butyl)-[(4-methoxyphenyl)methyl]amino]-4,4-dimethyl-pentanenitrile CAS Name: 5-[(3-amino-2-hydroxy-4-phenylbutyl)-[(4-methoxyphenyl)methyl]amino]-4,4-dimethylpentanenitrile IUPAC Name: 5-[(3-amino-2-hydroxy-4-phenylbutyl)-[(4-methoxyphenyl)methyl]amino]-4,4-dimethylpentanenitrile Traditional Name: 5-[(3-amino-2-hydroxy-4-phenyl-butyl)-p-anisyl-amino]-4,4-dimethyl-valeronitrile Formula: C25H35N3O2 MolecularWeight: 409.5643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC#N)CN(CC1=CC=C(C=C1)OC)CC(C(CC2=CC=CC=C2)N)O

Isomeric SMILES

CC(C)(CCC#N)CN(CC1=CC=C(C=C1)OC)CC(C(CC2=CC=CC=C2)N)O

InChI

InChI=1S/C25H35N3O2/c1-25(2,14-7-15-26)19-28(17-21-10-12-22(30-3)13-11-21)18-24(29)23(27)16-20-8-5-4-6-9-20/h4-6,8-13,23-24,29H,7,14,16-19,27H2,1-3H3