methyl (4R)-4-[2-(2-aminophenyl)ethynyl]-4-ethyl-7-oxidanyl-heptanoate

Systemtic Name: methyl (4R)-4-[2-(2-aminophenyl)ethynyl]-4-ethyl-7-oxidanyl-heptanoate Openeye Name: methyl (4R)-4-[2-(2-aminophenyl)ethynyl]-4-ethyl-7-hydroxy-heptanoate CAS Name: (4R)-4-[2-(2-aminophenyl)ethynyl]-4-ethyl-7-hydroxyheptanoic acid methyl ester IUPAC Name: methyl (4R)-4-[2-(2-aminophenyl)ethynyl]-4-ethyl-7-hydroxyheptanoate Traditional Name: (4R)-6-(2-aminophenyl)-4-ethyl-4-(3-hydroxypropyl)hex-5-ynoic acid methyl ester Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCO)(CCC(=O)OC)C#CC1=CC=CC=C1N

Isomeric SMILES

CC[C@@](CCCO)(CCC(=O)OC)C#CC1=CC=CC=C1N

InChI

InChI=1S/C18H25NO3/c1-3-18(11-6-14-20,13-10-17(21)22-2)12-9-15-7-4-5-8-16(15)19/h4-5,7-8,20H,3,6,10-11,13-14,19H2,1-2H3/t18-/m0/s1