2-[[4-(2-azanylethylcarbamoyl)-3-methoxy-phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-(2-azanylethylcarbamoyl)-3-methoxy-phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-(2-aminoethylcarbamoyl)-3-methoxy-benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-[(2-aminoethylamino)-oxomethyl]-3-methoxyphenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-(2-aminoethylcarbamoyl)-3-methoxybenzoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-(2-aminoethylcarbamoyl)-3-methoxy-benzoyl]amino]-3-phenyl-propionic acid Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)C(=O)NCCN

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)C(=O)NCCN

InChI

InChI=1S/C20H23N3O5/c1-28-17-12-14(7-8-15(17)19(25)22-10-9-21)18(24)23-16(20(26)27)11-13-5-3-2-4-6-13/h2-8,12,16H,9-11,21H2,1H3,(H,22,25)(H,23,24)(H,26,27)