(3R,4S,5S,6S)-3,6-diethoxy-N4,N5-bis[(1S)-1-phenylethyl]octa-1,7-diene-4,5-diamine

Systemtic Name: (3R,4S,5S,6S)-3,6-diethoxy-N4,N5-bis[(1S)-1-phenylethyl]octa-1,7-diene-4,5-diamine Openeye Name: (3R,4S,5S,6S)-3,6-diethoxy-N4,N5-bis[(1S)-1-phenylethyl]octa-1,7-diene-4,5-diamine CAS Name: (3R,4S,5S,6S)-3,6-diethoxy-N4,N5-bis[(1S)-1-phenylethyl]octa-1,7-diene-4,5-diamine IUPAC Name: (3R,4S,5S,6S)-3,6-diethoxy-4-N,5-N-bis[(1S)-1-phenylethyl]octa-1,7-diene-4,5-diamine Traditional Name: [(1S,2S,3S)-3-ethoxy-1-[(1R)-1-ethoxyallyl]-2-[[(1S)-1-phenylethyl]amino]pent-4-enyl]-[(1S)-1-phenylethyl]amine Formula: C28H40N2O2 MolecularWeight: 436.6294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C=C)C(C(C(C=C)OCC)NC(C)C1=CC=CC=C1)NC(C)C2=CC=CC=C2

Isomeric SMILES

CCO[C@H](C=C)[C@H]([C@@H]([C@H](C=C)OCC)N[C@@H](C)C1=CC=CC=C1)N[C@@H](C)C2=CC=CC=C2

InChI

InChI=1S/C28H40N2O2/c1-7-25(31-9-3)27(29-21(5)23-17-13-11-14-18-23)28(26(8-2)32-10-4)30-22(6)24-19-15-12-16-20-24/h7-8,11-22,25-30H,1-2,9-10H2,3-6H3/t21-,22-,25-,26+,27+,28+/m0/s1