2-[(4-carbamimidoylphenyl)carbonyl-[2-(3-phenylpropanoyloxy)ethyl]amino]ethyl 3-phenylpropanoate

Systemtic Name: 2-[(4-carbamimidoylphenyl)carbonyl-[2-(3-phenylpropanoyloxy)ethyl]amino]ethyl 3-phenylpropanoate Openeye Name: 2-[(4-carbamimidoylbenzoyl)-[2-(3-phenylpropanoyloxy)ethyl]amino]ethyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid 2-[[(4-carbamimidoylphenyl)-oxomethyl]-[2-(1-oxo-3-phenylpropoxy)ethyl]amino]ethyl ester IUPAC Name: 2-[(4-carbamimidoylbenzoyl)-[2-(3-phenylpropanoyloxy)ethyl]amino]ethyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid 2-[(4-amidinobenzoyl)-(2-hydrocinnamoyloxyethyl)amino]ethyl ester Formula: C30H33N3O5 MolecularWeight: 515.60012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)OCCN(CCOC(=O)CCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)OCCN(CCOC(=O)CCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C30H33N3O5/c31-29(32)25-13-15-26(16-14-25)30(36)33(19-21-37-27(34)17-11-23-7-3-1-4-8-23)20-22-38-28(35)18-12-24-9-5-2-6-10-24/h1-10,13-16H,11-12,17-22H2,(H3,31,32)