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

Systemtic Name: methyl 3,5-bis[3-[[4-(aminomethyl)phenyl]methylcarbamoyloxy]prop-1-ynyl]benzoate Openeye Name: methyl 3,5-bis[3-[[4-(aminomethyl)phenyl]methylcarbamoyloxy]prop-1-ynyl]benzoate CAS Name: 3,5-bis[3-[[[4-(aminomethyl)phenyl]methylamino]-oxomethoxy]prop-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 3,5-bis[3-[[4-(aminomethyl)phenyl]methylcarbamoyloxy]prop-1-ynyl]benzoate Traditional Name: 3,5-bis[3-[[4-(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=CC(=CC(=C1)C#CCOC(=O)NCC2=CC=C(C=C2)CN)C#CCOC(=O)NCC3=CC=C(C=C3)CN

Isomeric SMILES

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

InChI

InChI=1S/C32H32N4O6/c1-40-30(37)29-17-27(4-2-14-41-31(38)35-21-25-10-6-23(19-33)7-11-25)16-28(18-29)5-3-15-42-32(39)36-22-26-12-8-24(20-34)9-13-26/h6-13,16-18H,14-15,19-22,33-34H2,1H3,(H,35,38)(H,36,39)