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

Systemtic Name: ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(3-phenoxyphenyl)propanoate Openeye Name: ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(3-phenoxyphenyl)propanoate CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-(3-phenoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(3-phenoxyphenyl)propanoate Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(3-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(=CC=C1)OC2=CC=CC=C2)NC(=O)CCCCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C1=CC(=CC=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(23-10-8-13-25(19-23)36-24-11-4-3-5-12-24)32-27(33)14-7-6-9-21-15-17-22(18-16-21)29(30)31/h3-5,8,10-13,15-19,26H,2,6-7,9,14,20H2,1H3,(H3,30,31)(H,32,33)