(1S,2S)-1,2-bis(3,4-dimethoxyphenyl)-N-(phenylmethyl)pent-4-en-1-amine

Systemtic Name: (1S,2S)-1,2-bis(3,4-dimethoxyphenyl)-N-(phenylmethyl)pent-4-en-1-amine Openeye Name: (1S,2S)-N-benzyl-1,2-bis(3,4-dimethoxyphenyl)pent-4-en-1-amine CAS Name: (1S,2S)-1,2-bis(3,4-dimethoxyphenyl)-N-(phenylmethyl)-4-penten-1-amine IUPAC Name: (1S,2S)-N-benzyl-1,2-bis(3,4-dimethoxyphenyl)pent-4-en-1-amine Traditional Name: benzyl-[(1S,2S)-1,2-bis(3,4-dimethoxyphenyl)pent-4-enyl]amine Formula: C28H33NO4 MolecularWeight: 447.56592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC=C)C(C2=CC(=C(C=C2)OC)OC)NCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CC=C)[C@@H](C2=CC(=C(C=C2)OC)OC)NCC3=CC=CC=C3)OC

InChI

InChI=1S/C28H33NO4/c1-6-10-23(21-13-15-24(30-2)26(17-21)32-4)28(29-19-20-11-8-7-9-12-20)22-14-16-25(31-3)27(18-22)33-5/h6-9,11-18,23,28-29H,1,10,19H2,2-5H3/t23-,28+/m0/s1