2-[1,3-benzoxazol-2-yl(methyl)amino]-2-(3-cyclohexylcarbonylpyrrol-1-yl)-3-ethoxy-3-phenyl-propanoic acid

Systemtic Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-(3-cyclohexylcarbonylpyrrol-1-yl)-3-ethoxy-3-phenyl-propanoic acid Openeye Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[3-(cyclohexanecarbonyl)pyrrol-1-yl]-3-ethoxy-3-phenyl-propanoic acid CAS Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[3-[cyclohexyl(oxo)methyl]-1-pyrrolyl]-3-ethoxy-3-phenylpropanoic acid IUPAC Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[3-(cyclohexanecarbonyl)pyrrol-1-yl]-3-ethoxy-3-phenylpropanoic acid Traditional Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[3-(cyclohexanecarbonyl)pyrrol-1-yl]-3-ethoxy-3-phenyl-propionic acid Formula: C30H33N3O5 MolecularWeight: 515.60012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=CC=C1)C(C(=O)O)(N2C=CC(=C2)C(=O)C3CCCCC3)N(C)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CCOC(C1=CC=CC=C1)C(C(=O)O)(N2C=CC(=C2)C(=O)C3CCCCC3)N(C)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C30H33N3O5/c1-3-37-27(22-14-8-5-9-15-22)30(28(35)36,32(2)29-31-24-16-10-11-17-25(24)38-29)33-19-18-23(20-33)26(34)21-12-6-4-7-13-21/h5,8-11,14-21,27H,3-4,6-7,12-13H2,1-2H3,(H,35,36)