methyl 4-[(E)-3-[[(2S)-heptan-2-yl]amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[[(2S)-heptan-2-yl]amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[[(1S)-1-methylhexyl]amino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[[(2S)-heptan-2-yl]amino]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[[(2S)-heptan-2-yl]amino]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[[(1S)-1-methylhexyl]amino]prop-1-enyl]benzoic acid methyl ester Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C=CC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCCC[C@H](C)NC(=O)/C=C/C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C18H25NO3/c1-4-5-6-7-14(2)19-17(20)13-10-15-8-11-16(12-9-15)18(21)22-3/h8-14H,4-7H2,1-3H3,(H,19,20)/b13-10+/t14-/m0/s1