(6-oxidanylidenecyclohexa-1,3-dien-1-yl) 3-(7-carbamimidoylnaphthalen-2-yl)-2-(1-ethanimidoylpyrrolidin-3-yl)propanoate

Systemtic Name: (6-oxidanylidenecyclohexa-1,3-dien-1-yl) 3-(7-carbamimidoylnaphthalen-2-yl)-2-(1-ethanimidoylpyrrolidin-3-yl)propanoate Openeye Name: (6-oxocyclohexa-1,3-dien-1-yl) 3-(7-carbamimidoyl-2-naphthyl)-2-(1-ethanimidoylpyrrolidin-3-yl)propanoate CAS Name: 3-(7-carbamimidoyl-2-naphthalenyl)-2-[1-(1-iminoethyl)-3-pyrrolidinyl]propanoic acid (6-oxo-1-cyclohexa-1,3-dienyl) ester IUPAC Name: (6-oxocyclohexa-1,3-dien-1-yl) 3-(7-carbamimidoylnaphthalen-2-yl)-2-(1-ethanimidoylpyrrolidin-3-yl)propanoate Traditional Name: 2-(1-acetimidoylpyrrolidin-3-yl)-3-(7-amidino-2-naphthyl)propionic acid (6-ketocyclohexa-1,3-dien-1-yl) ester Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(C1)C(CC2=CC3=C(C=C2)C=CC(=C3)C(=N)N)C(=O)OC4=CC=CCC4=O

Isomeric SMILES

CC(=N)N1CCC(C1)C(CC2=CC3=C(C=C2)C=CC(=C3)C(=N)N)C(=O)OC4=CC=CCC4=O

InChI

InChI=1S/C26H28N4O3/c1-16(27)30-11-10-20(15-30)22(26(32)33-24-5-3-2-4-23(24)31)13-17-6-7-18-8-9-19(25(28)29)14-21(18)12-17/h2-3,5-9,12,14,20,22,27H,4,10-11,13,15H2,1H3,(H3,28,29)