methyl (2R)-2-[[(2S)-2-methoxy-12-methyl-octadec-17-en-5-ynoyl]amino]-2-phenyl-ethanoate

Systemtic Name: methyl (2R)-2-[[(2S)-2-methoxy-12-methyl-octadec-17-en-5-ynoyl]amino]-2-phenyl-ethanoate Openeye Name: methyl (2R)-2-[[(2S)-2-methoxy-12-methyl-octadec-17-en-5-ynoyl]amino]-2-phenyl-acetate CAS Name: (2R)-2-[[(2S)-2-methoxy-12-methyl-1-oxooctadec-17-en-5-ynyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-2-methoxy-12-methyloctadec-17-en-5-ynoyl]amino]-2-phenylacetate Traditional Name: (2R)-2-[[(2S)-2-methoxy-12-methyl-octadec-17-en-5-ynoyl]amino]-2-phenyl-acetic acid methyl ester Formula: C29H43NO4 MolecularWeight: 469.65602

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCC#CCCC(C(=O)NC(C1=CC=CC=C1)C(=O)OC)OC)CCCCC=C

Isomeric SMILES

CC(CCCCCC#CCC[C@@H](C(=O)N[C@H](C1=CC=CC=C1)C(=O)OC)OC)CCCCC=C

InChI

InChI=1S/C29H43NO4/c1-5-6-7-14-19-24(2)20-15-11-9-8-10-12-18-23-26(33-3)28(31)30-27(29(32)34-4)25-21-16-13-17-22-25/h5,13,16-17,21-22,24,26-27H,1,6-9,11,14-15,18-20,23H2,2-4H3,(H,30,31)/t24?,26-,27+/m0/s1