(3S)-2-[(E)-hex-2-enoyl]-7-[2-[5-methyl-2-[(E)-pent-1-enyl]-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-[(E)-hex-2-enoyl]-7-[2-[5-methyl-2-[(E)-pent-1-enyl]-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-[(E)-hex-2-enoyl]-7-[2-[5-methyl-2-[(E)-pent-1-enyl]oxazol-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-7-[2-[5-methyl-2-[(E)-pent-1-enyl]-4-oxazolyl]ethoxy]-2-[(E)-1-oxohex-2-enyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[(E)-hex-2-enoyl]-7-[2-[5-methyl-2-[(E)-pent-1-enyl]-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-[(E)-hex-2-enoyl]-7-[2-[5-methyl-2-[(E)-pent-1-enyl]oxazol-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C27H34N2O5 MolecularWeight: 466.56926

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC1=NC(=C(O1)C)CCOC2=CC3=C(CC(N(C3)C(=O)C=CCCC)C(=O)O)C=C2

Isomeric SMILES

CCC/C=C/C1=NC(=C(O1)C)CCOC2=CC3=C(C[C@H](N(C3)C(=O)/C=C/CCC)C(=O)O)C=C2

InChI

InChI=1S/C27H34N2O5/c1-4-6-8-10-25-28-23(19(3)34-25)14-15-33-22-13-12-20-17-24(27(31)32)29(18-21(20)16-22)26(30)11-9-7-5-2/h8-13,16,24H,4-7,14-15,17-18H2,1-3H3,(H,31,32)/b10-8+,11-9+/t24-/m0/s1