ethyl 3-[[1-[(4-carbamimidoylphenyl)carbamoyl]piperidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl 3-[[1-[(4-carbamimidoylphenyl)carbamoyl]piperidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 3-[[1-[(4-carbamimidoylphenyl)carbamoyl]piperidine-3-carbonyl]amino]-3-(3-pyridyl)propanoate CAS Name: 3-[[[1-[(4-carbamimidoylanilino)-oxomethyl]-3-piperidinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[(4-carbamimidoylphenyl)carbamoyl]piperidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[[1-[(4-amidinophenyl)carbamoyl]nipecotoyl]amino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C24H30N6O4 MolecularWeight: 466.5328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)C2CCCN(C2)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)C2CCCN(C2)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H30N6O4/c1-2-34-21(31)13-20(17-5-3-11-27-14-17)29-23(32)18-6-4-12-30(15-18)24(33)28-19-9-7-16(8-10-19)22(25)26/h3,5,7-11,14,18,20H,2,4,6,12-13,15H2,1H3,(H3,25,26)(H,28,33)(H,29,32)