3-[(7-carbamimidoylnaphthalen-2-yl)carbonyl-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]amino]propanoic acid

Systemtic Name: 3-[(7-carbamimidoylnaphthalen-2-yl)carbonyl-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]amino]propanoic acid Openeye Name: 3-[N-(7-carbamimidoylnaphthalene-2-carbonyl)-4-[(1-ethanimidoyl-4-piperidyl)oxy]anilino]propanoic acid CAS Name: 3-[N-[(7-carbamimidoyl-2-naphthalenyl)-oxomethyl]-4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]anilino]propanoic acid IUPAC Name: 3-[N-(7-carbamimidoylnaphthalene-2-carbonyl)-4-(1-ethanimidoylpiperidin-4-yl)oxyanilino]propanoic acid Traditional Name: 3-[4-[(1-acetimidoyl-4-piperidyl)oxy]-N-(7-amidino-2-naphthoyl)anilino]propionic acid Formula: C28H31N5O4 MolecularWeight: 501.57684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)N(CCC(=O)O)C(=O)C3=CC4=C(C=CC(=C4)C(=N)N)C=C3

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)N(CCC(=O)O)C(=O)C3=CC4=C(C=CC(=C4)C(=N)N)C=C3

InChI

InChI=1S/C28H31N5O4/c1-18(29)32-13-10-25(11-14-32)37-24-8-6-23(7-9-24)33(15-12-26(34)35)28(36)21-5-3-19-2-4-20(27(30)31)16-22(19)17-21/h2-9,16-17,25,29H,10-15H2,1H3,(H3,30,31)(H,34,35)