ethyl (1R)-2-[[2-(7-carbamimidoylnaphthalen-1-yl)-3-phenyl-propanoyl]amino]cyclohexane-1-carboxylate

Systemtic Name: ethyl (1R)-2-[[2-(7-carbamimidoylnaphthalen-1-yl)-3-phenyl-propanoyl]amino]cyclohexane-1-carboxylate Openeye Name: ethyl (1R)-2-[[2-(7-carbamimidoyl-1-naphthyl)-3-phenyl-propanoyl]amino]cyclohexanecarboxylate CAS Name: (1R)-2-[[2-(7-carbamimidoyl-1-naphthalenyl)-1-oxo-3-phenylpropyl]amino]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R)-2-[[2-(7-carbamimidoylnaphthalen-1-yl)-3-phenylpropanoyl]amino]cyclohexane-1-carboxylate Traditional Name: (1R)-2-[[2-(7-amidino-1-naphthyl)-3-phenyl-propanoyl]amino]cyclohexanecarboxylic acid ethyl ester Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCC1NC(=O)C(CC2=CC=CC=C2)C3=CC=CC4=C3C=C(C=C4)C(=N)N

Isomeric SMILES

CCOC(=O)[C@@H]1CCCCC1NC(=O)C(CC2=CC=CC=C2)C3=CC=CC4=C3C=C(C=C4)C(=N)N

InChI

InChI=1S/C29H33N3O3/c1-2-35-29(34)23-12-6-7-14-26(23)32-28(33)25(17-19-9-4-3-5-10-19)22-13-8-11-20-15-16-21(27(30)31)18-24(20)22/h3-5,8-11,13,15-16,18,23,25-26H,2,6-7,12,14,17H2,1H3,(H3,30,31)(H,32,33)/t23-,25?,26?/m1/s1