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methyl (3S)-3-[3-[3-cyanopropyl(naphthalen-2-ylmethyl)amino]propylamino]-3-phenyl-propanoate
methyl (3S)-3-[3-[3-cyanopropyl(naphthalen-2-ylmethyl)amino]propylamino]-3-phenyl-propanoate
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Descriptors Computed from Structure
Canonical SMILES:
COC(=O)CC(C1=CC=CC=C1)NCCCN(CCCC#N)CC2=CC3=CC=CC=C3C=C2
Isomeric SMILES
COC(=O)C[C@@H](C1=CC=CC=C1)NCCCN(CCCC#N)CC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C28H33N3O2/c1-33-28(32)21-27(25-11-3-2-4-12-25)30-17-9-19-31(18-8-7-16-29)22-23-14-15-24-10-5-6-13-26(24)20-23/h2-6,10-15,20,27,30H,7-9,17-19,21-22H2,1H3/t27-/m0/s1
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