[3-[(4-carbamimidoylphenyl)carbamoylamino]-4-(1-phenylethylamino)phenyl] propanoate

Systemtic Name: [3-[(4-carbamimidoylphenyl)carbamoylamino]-4-(1-phenylethylamino)phenyl] propanoate Openeye Name: [3-[(4-carbamimidoylphenyl)carbamoylamino]-4-(1-phenylethylamino)phenyl] propanoate CAS Name: propanoic acid [3-[[(4-carbamimidoylanilino)-oxomethyl]amino]-4-(1-phenylethylamino)phenyl] ester IUPAC Name: [3-[(4-carbamimidoylphenyl)carbamoylamino]-4-(1-phenylethylamino)phenyl] propanoate Traditional Name: propionic acid [3-[(4-amidinophenyl)carbamoylamino]-4-(1-phenylethylamino)phenyl] ester Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC(=C(C=C1)NC(C)C2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCC(=O)OC1=CC(=C(C=C1)NC(C)C2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H27N5O3/c1-3-23(31)33-20-13-14-21(28-16(2)17-7-5-4-6-8-17)22(15-20)30-25(32)29-19-11-9-18(10-12-19)24(26)27/h4-16,28H,3H2,1-2H3,(H3,26,27)(H2,29,30,32)