methyl 2,5-bis[3-[[3-(aminomethyl)phenyl]methylcarbamoyloxy]prop-1-ynyl]benzoate

Systemtic Name: methyl 2,5-bis[3-[[3-(aminomethyl)phenyl]methylcarbamoyloxy]prop-1-ynyl]benzoate Openeye Name: methyl 2,5-bis[3-[[3-(aminomethyl)phenyl]methylcarbamoyloxy]prop-1-ynyl]benzoate CAS Name: 2,5-bis[3-[[[3-(aminomethyl)phenyl]methylamino]-oxomethoxy]prop-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 2,5-bis[3-[[3-(aminomethyl)phenyl]methylcarbamoyloxy]prop-1-ynyl]benzoate Traditional Name: 2,5-bis[3-[[3-(aminomethyl)benzyl]carbamoyloxy]prop-1-ynyl]benzoic acid methyl ester Formula: C32H32N4O6 MolecularWeight: 568.61968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C#CCOC(=O)NCC2=CC=CC(=C2)CN)C#CCOC(=O)NCC3=CC=CC(=C3)CN

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C#CCOC(=O)NCC2=CC=CC(=C2)CN)C#CCOC(=O)NCC3=CC=CC(=C3)CN

InChI

InChI=1S/C32H32N4O6/c1-40-30(37)29-18-23(10-4-14-41-31(38)35-21-26-8-2-6-24(16-26)19-33)12-13-28(29)11-5-15-42-32(39)36-22-27-9-3-7-25(17-27)20-34/h2-3,6-9,12-13,16-18H,14-15,19-22,33-34H2,1H3,(H,35,38)(H,36,39)