(4S)-4-(2,5-dimethylphenyl)-4-phenoxy-butan-1-amine

Systemtic Name: (4S)-4-(2,5-dimethylphenyl)-4-phenoxy-butan-1-amine Openeye Name: (4S)-4-(2,5-dimethylphenyl)-4-phenoxy-butan-1-amine CAS Name: (4S)-4-(2,5-dimethylphenyl)-4-phenoxy-1-butanamine IUPAC Name: (4S)-4-(2,5-dimethylphenyl)-4-phenoxybutan-1-amine Traditional Name: [(4S)-4-(2,5-dimethylphenyl)-4-phenoxy-butyl]amine Formula: C18H23NO MolecularWeight: 269.38132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(CCCN)OC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@H](CCCN)OC2=CC=CC=C2

InChI

InChI=1S/C18H23NO/c1-14-10-11-15(2)17(13-14)18(9-6-12-19)20-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,18H,6,9,12,19H2,1-2H3/t18-/m0/s1