2-[(4-azanyl-2-methyl-quinolin-6-yl)carbamoyl]-3-phenyl-3-phenylmethoxy-propanoic acid

Systemtic Name: 2-[(4-azanyl-2-methyl-quinolin-6-yl)carbamoyl]-3-phenyl-3-phenylmethoxy-propanoic acid Openeye Name: 2-[(4-amino-2-methyl-6-quinolyl)carbamoyl]-3-benzyloxy-3-phenyl-propanoic acid CAS Name: 2-[[(4-amino-2-methyl-6-quinolinyl)amino]-oxomethyl]-3-phenyl-3-phenylmethoxypropanoic acid IUPAC Name: 2-[(4-amino-2-methylquinolin-6-yl)carbamoyl]-3-phenyl-3-phenylmethoxypropanoic acid Traditional Name: 2-[(4-amino-2-methyl-6-quinolyl)carbamoyl]-3-benzoxy-3-phenyl-propionic acid Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)NC(=O)C(C(C3=CC=CC=C3)OCC4=CC=CC=C4)C(=O)O)C(=C1)N

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)NC(=O)C(C(C3=CC=CC=C3)OCC4=CC=CC=C4)C(=O)O)C(=C1)N

InChI

InChI=1S/C27H25N3O4/c1-17-14-22(28)21-15-20(12-13-23(21)29-17)30-26(31)24(27(32)33)25(19-10-6-3-7-11-19)34-16-18-8-4-2-5-9-18/h2-15,24-25H,16H2,1H3,(H2,28,29)(H,30,31)(H,32,33)