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

Systemtic Name: (3S)-2-benzamido-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-benzamido-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-benzamido-7-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-benzamido-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-benzamido-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C29H27N3O5 MolecularWeight: 497.54178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC4=C(CC(N(C4)NC(=O)C5=CC=CC=C5)C(=O)O)C=C3

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC4=C(C[C@H](N(C4)NC(=O)C5=CC=CC=C5)C(=O)O)C=C3

InChI

InChI=1S/C29H27N3O5/c1-19-25(30-28(37-19)21-10-6-3-7-11-21)14-15-36-24-13-12-22-17-26(29(34)35)32(18-23(22)16-24)31-27(33)20-8-4-2-5-9-20/h2-13,16,26H,14-15,17-18H2,1H3,(H,31,33)(H,34,35)/t26-/m0/s1