3,5-bis[3-[[4-(aminomethyl)phenyl]methylcarbamoyloxy]prop-1-ynyl]benzoic acid

Systemtic Name: 3,5-bis[3-[[4-(aminomethyl)phenyl]methylcarbamoyloxy]prop-1-ynyl]benzoic acid Openeye Name: 3,5-bis[3-[[4-(aminomethyl)phenyl]methylcarbamoyloxy]prop-1-ynyl]benzoic acid CAS Name: 3,5-bis[3-[[[4-(aminomethyl)phenyl]methylamino]-oxomethoxy]prop-1-ynyl]benzoic acid IUPAC Name: 3,5-bis[3-[[4-(aminomethyl)phenyl]methylcarbamoyloxy]prop-1-ynyl]benzoic acid Traditional Name: 3,5-bis[3-[[4-(aminomethyl)benzyl]carbamoyloxy]prop-1-ynyl]benzoic acid Formula: C31H30N4O6 MolecularWeight: 554.5931

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN)CNC(=O)OCC#CC2=CC(=CC(=C2)C(=O)O)C#CCOC(=O)NCC3=CC=C(C=C3)CN

Isomeric SMILES

C1=CC(=CC=C1CN)CNC(=O)OCC#CC2=CC(=CC(=C2)C(=O)O)C#CCOC(=O)NCC3=CC=C(C=C3)CN

InChI

InChI=1S/C31H30N4O6/c32-18-22-5-9-24(10-6-22)20-34-30(38)40-13-1-3-26-15-27(17-28(16-26)29(36)37)4-2-14-41-31(39)35-21-25-11-7-23(19-33)8-12-25/h5-12,15-17H,13-14,18-21,32-33H2,(H,34,38)(H,35,39)(H,36,37)