ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(4-phenoxyphenyl)propanoate

Systemtic Name: ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(4-phenoxyphenyl)propanoate Openeye Name: ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(4-phenoxyphenyl)propanoate CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-(4-phenoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(4-phenoxyphenyl)propanoate Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(4-phenoxyphenyl)propionic acid ethyl ester Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=C(C=C1)OC2=CC=CC=C2)NC(=O)CCCCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C1=CC=C(C=C1)OC2=CC=CC=C2)NC(=O)CCCCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C29H33N3O4/c1-2-35-28(34)20-26(22-16-18-25(19-17-22)36-24-9-4-3-5-10-24)32-27(33)11-7-6-8-21-12-14-23(15-13-21)29(30)31/h3-5,9-10,12-19,26H,2,6-8,11,20H2,1H3,(H3,30,31)(H,32,33)