2-[[[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-methyl-carbamoyl]-(4-methylphenyl)amino]ethanoic acid

Systemtic Name: 2-[[[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-methyl-carbamoyl]-(4-methylphenyl)amino]ethanoic acid Openeye Name: 2-(N-[[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-methyl-carbamoyl]-4-methyl-anilino)acetic acid CAS Name: 2-(N-[[[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-methylamino]-oxomethyl]-4-methylanilino)acetic acid IUPAC Name: 2-(N-[[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-methylcarbamoyl]-4-methylanilino)acetic acid Traditional Name: 2-(N-[[(1-carbethoxy-3-phenyl-propyl)amino]-methyl-carbamoyl]-4-methyl-anilino)acetic acid Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NN(C)C(=O)N(CC(=O)O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NN(C)C(=O)N(CC(=O)O)C2=CC=C(C=C2)C

InChI

InChI=1S/C23H29N3O5/c1-4-31-22(29)20(15-12-18-8-6-5-7-9-18)24-25(3)23(30)26(16-21(27)28)19-13-10-17(2)11-14-19/h5-11,13-14,20,24H,4,12,15-16H2,1-3H3,(H,27,28)