ethyl (4R,5S)-5-[bis(phenylmethyl)amino]-6-methyl-4-oxidanyl-hept-2-ynoate

Systemtic Name: ethyl (4R,5S)-5-[bis(phenylmethyl)amino]-6-methyl-4-oxidanyl-hept-2-ynoate Openeye Name: ethyl (4R,5S)-5-(dibenzylamino)-4-hydroxy-6-methyl-hept-2-ynoate CAS Name: (4R,5S)-5-[bis(phenylmethyl)amino]-4-hydroxy-6-methyl-2-heptynoic acid ethyl ester IUPAC Name: ethyl (4R,5S)-5-(dibenzylamino)-4-hydroxy-6-methylhept-2-ynoate Traditional Name: (4R,5S)-5-(dibenzylamino)-4-hydroxy-6-methyl-hept-2-ynoic acid ethyl ester Formula: C24H29NO3 MolecularWeight: 379.49196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CC(C(C(C)C)N(CC1=CC=CC=C1)CC2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)C#C[C@H]([C@H](C(C)C)N(CC1=CC=CC=C1)CC2=CC=CC=C2)O

InChI

InChI=1S/C24H29NO3/c1-4-28-23(27)16-15-22(26)24(19(2)3)25(17-20-11-7-5-8-12-20)18-21-13-9-6-10-14-21/h5-14,19,22,24,26H,4,17-18H2,1-3H3/t22-,24+/m1/s1