(3R,4S)-N4-[(4-methoxyphenyl)methyl]-7-phenyl-heptane-3,4-diamine

Systemtic Name: (3R,4S)-N4-[(4-methoxyphenyl)methyl]-7-phenyl-heptane-3,4-diamine Openeye Name: (3R,4S)-N4-[(4-methoxyphenyl)methyl]-7-phenyl-heptane-3,4-diamine CAS Name: (3R,4S)-N4-[(4-methoxyphenyl)methyl]-7-phenylheptane-3,4-diamine IUPAC Name: (3R,4S)-4-N-[(4-methoxyphenyl)methyl]-7-phenylheptane-3,4-diamine Traditional Name: [(1S,2R)-2-amino-1-(3-phenylpropyl)butyl]-p-anisyl-amine Formula: C21H30N2O MolecularWeight: 326.4757

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CCCC1=CC=CC=C1)NCC2=CC=C(C=C2)OC)N

Isomeric SMILES

CC[C@H]([C@H](CCCC1=CC=CC=C1)NCC2=CC=C(C=C2)OC)N

InChI

InChI=1S/C21H30N2O/c1-3-20(22)21(11-7-10-17-8-5-4-6-9-17)23-16-18-12-14-19(24-2)15-13-18/h4-6,8-9,12-15,20-21,23H,3,7,10-11,16,22H2,1-2H3/t20-,21+/m1/s1