[4-[(E)-3-(diphenylmethyl)oxy-3-oxidanylidene-prop-1-enyl]phenyl] 3-(1-carbamimidoylpiperidin-4-yl)propanoate

Systemtic Name: [4-[(E)-3-(diphenylmethyl)oxy-3-oxidanylidene-prop-1-enyl]phenyl] 3-(1-carbamimidoylpiperidin-4-yl)propanoate Openeye Name: [4-[(E)-3-benzhydryloxy-3-oxo-prop-1-enyl]phenyl] 3-(1-carbamimidoyl-4-piperidyl)propanoate CAS Name: 3-(1-carbamimidoyl-4-piperidinyl)propanoic acid [4-[(E)-3-(diphenylmethyl)oxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-benzhydryloxy-3-oxoprop-1-enyl]phenyl] 3-(1-carbamimidoylpiperidin-4-yl)propanoate Traditional Name: 3-(1-amidino-4-piperidyl)propionic acid [4-[(E)-3-benzhydryloxy-3-keto-prop-1-enyl]phenyl] ester Formula: C31H33N3O4 MolecularWeight: 511.61142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC(=O)OC2=CC=C(C=C2)C=CC(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C(=N)N

Isomeric SMILES

C1CN(CCC1CCC(=O)OC2=CC=C(C=C2)/C=C/C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C(=N)N

InChI

InChI=1S/C31H33N3O4/c32-31(33)34-21-19-24(20-22-34)14-17-28(35)37-27-15-11-23(12-16-27)13-18-29(36)38-30(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-13,15-16,18,24,30H,14,17,19-22H2,(H3,32,33)/b18-13+