(3S)-3-ethyl-2-hexyl-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-hexyl-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-hexyl-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: (3S)-3-ethyl-2-hexyl-7-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: (3S)-3-ethyl-2-hexyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: (3S)-3-ethyl-2-hexyl-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C30H38N2O4 MolecularWeight: 490.63372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(CC2=C(C1C(=O)O)C=C(C=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C)CC

Isomeric SMILES

CCCCCCN1[C@H](CC2=C(C1C(=O)O)C=C(C=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C)CC

InChI

InChI=1S/C30H38N2O4/c1-4-6-7-11-17-32-24(5-2)19-23-14-15-25(20-26(23)28(32)30(33)34)35-18-16-27-21(3)36-29(31-27)22-12-9-8-10-13-22/h8-10,12-15,20,24,28H,4-7,11,16-19H2,1-3H3,(H,33,34)/t24-,28?/m0/s1