methyl (12R,13S)-13-[bis(phenylmethyl)amino]-9-oxidanyl-12-phenylmethoxy-tetradec-10-ynoate

Systemtic Name: methyl (12R,13S)-13-[bis(phenylmethyl)amino]-9-oxidanyl-12-phenylmethoxy-tetradec-10-ynoate Openeye Name: methyl (12R,13S)-12-benzyloxy-13-(dibenzylamino)-9-hydroxy-tetradec-10-ynoate CAS Name: (12R,13S)-13-[bis(phenylmethyl)amino]-9-hydroxy-12-phenylmethoxy-10-tetradecynoic acid methyl ester IUPAC Name: methyl (12R,13S)-13-(dibenzylamino)-9-hydroxy-12-phenylmethoxytetradec-10-ynoate Traditional Name: (12R,13S)-12-benzoxy-13-(dibenzylamino)-9-hydroxy-tetradec-10-ynoic acid methyl ester Formula: C36H45NO4 MolecularWeight: 555.7468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C#CC(CCCCCCCC(=O)OC)O)OCC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H]([C@@H](C#CC(CCCCCCCC(=O)OC)O)OCC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C36H45NO4/c1-30(37(27-31-17-9-6-10-18-31)28-32-19-11-7-12-20-32)35(41-29-33-21-13-8-14-22-33)26-25-34(38)23-15-4-3-5-16-24-36(39)40-2/h6-14,17-22,30,34-35,38H,3-5,15-16,23-24,27-29H2,1-2H3/t30-,34?,35+/m0/s1