ethyl 2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]propanoate

Systemtic Name: ethyl 2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]propanoate Openeye Name: ethyl 2-[4-[3-(4-carbamimidoylanilino)-3-oxo-propyl]-1-piperidyl]propanoate CAS Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]-1-piperidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]piperidin-1-yl]propanoate Traditional Name: 2-[4-[3-(4-amidinoanilino)-3-keto-propyl]piperidino]propionic acid ethyl ester Formula: C20H30N4O3 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N1CCC(CC1)CCC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)C(C)N1CCC(CC1)CCC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C20H30N4O3/c1-3-27-20(26)14(2)24-12-10-15(11-13-24)4-9-18(25)23-17-7-5-16(6-8-17)19(21)22/h5-8,14-15H,3-4,9-13H2,1-2H3,(H3,21,22)(H,23,25)