methyl 4-[(4-methoxy-4-oxidanylidene-but-2-ynyl)-(phenylmethyl)amino]but-2-ynoate

Systemtic Name: methyl 4-[(4-methoxy-4-oxidanylidene-but-2-ynyl)-(phenylmethyl)amino]but-2-ynoate Openeye Name: methyl 4-[benzyl-(4-methoxy-4-oxo-but-2-ynyl)amino]but-2-ynoate CAS Name: 4-[(4-methoxy-4-oxobut-2-ynyl)-(phenylmethyl)amino]-2-butynoic acid methyl ester IUPAC Name: methyl 4-[benzyl-(4-methoxy-4-oxobut-2-ynyl)amino]but-2-ynoate Traditional Name: 4-[benzyl-(4-keto-4-methoxy-but-2-ynyl)amino]but-2-ynoic acid methyl ester Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CCN(CC#CC(=O)OC)CC1=CC=CC=C1

Isomeric SMILES

COC(=O)C#CCN(CC#CC(=O)OC)CC1=CC=CC=C1

InChI

InChI=1S/C17H17NO4/c1-21-16(19)10-6-12-18(13-7-11-17(20)22-2)14-15-8-4-3-5-9-15/h3-5,8-9H,12-14H2,1-2H3