methyl 4-[(3-methoxyphenyl)-pentyl-amino]but-2-ynoate

Systemtic Name: methyl 4-[(3-methoxyphenyl)-pentyl-amino]but-2-ynoate Openeye Name: methyl 4-(3-methoxy-N-pentyl-anilino)but-2-ynoate CAS Name: 4-(3-methoxy-N-pentylanilino)-2-butynoic acid methyl ester IUPAC Name: methyl 4-(3-methoxy-N-pentylanilino)but-2-ynoate Traditional Name: 4-(N-amyl-3-methoxy-anilino)but-2-ynoic acid methyl ester Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC#CC(=O)OC)C1=CC(=CC=C1)OC

Isomeric SMILES

CCCCCN(CC#CC(=O)OC)C1=CC(=CC=C1)OC

InChI

InChI=1S/C17H23NO3/c1-4-5-6-12-18(13-8-11-17(19)21-3)15-9-7-10-16(14-15)20-2/h7,9-10,14H,4-6,12-13H2,1-3H3