(1S,2S)-1,2-bis(3,4-dimethoxyphenyl)-3-methyl-N-(phenylmethyl)butan-1-amine

Systemtic Name: (1S,2S)-1,2-bis(3,4-dimethoxyphenyl)-3-methyl-N-(phenylmethyl)butan-1-amine Openeye Name: (1S,2S)-N-benzyl-1,2-bis(3,4-dimethoxyphenyl)-3-methyl-butan-1-amine CAS Name: (1S,2S)-1,2-bis(3,4-dimethoxyphenyl)-3-methyl-N-(phenylmethyl)-1-butanamine IUPAC Name: (1S,2S)-N-benzyl-1,2-bis(3,4-dimethoxyphenyl)-3-methylbutan-1-amine Traditional Name: benzyl-[(1S,2S)-1,2-bis(3,4-dimethoxyphenyl)-3-methyl-butyl]amine Formula: C28H35NO4 MolecularWeight: 449.5818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC(=C(C=C1)OC)OC)C(C2=CC(=C(C=C2)OC)OC)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C1=CC(=C(C=C1)OC)OC)[C@@H](C2=CC(=C(C=C2)OC)OC)NCC3=CC=CC=C3

InChI

InChI=1S/C28H35NO4/c1-19(2)27(21-12-14-23(30-3)25(16-21)32-5)28(29-18-20-10-8-7-9-11-20)22-13-15-24(31-4)26(17-22)33-6/h7-17,19,27-29H,18H2,1-6H3/t27-,28+/m0/s1