(3S)-3-ethyl-2-hexanoyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: (3S)-3-ethyl-2-hexanoyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: (3S)-3-ethyl-2-hexanoyl-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: (3S)-3-ethyl-7-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-2-(1-oxohexyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: (3S)-3-ethyl-2-hexanoyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: (3S)-2-caproyl-3-ethyl-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C30H36N2O5 MolecularWeight: 504.61724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(CC2=C(C1C(=O)O)C=C(C=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C)CC

Isomeric SMILES

CCCCCC(=O)N1[C@H](CC2=C(C1C(=O)O)C=C(C=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C)CC

InChI

InChI=1S/C30H36N2O5/c1-4-6-8-13-27(33)32-23(5-2)18-22-14-15-24(19-25(22)28(32)30(34)35)36-17-16-26-20(3)37-29(31-26)21-11-9-7-10-12-21/h7,9-12,14-15,19,23,28H,4-6,8,13,16-18H2,1-3H3,(H,34,35)/t23-,28?/m0/s1