[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 3-[3-(2-oxochromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 3-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(2-ketochromen-3-yl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C33H29N3O5 MolecularWeight: 547.60046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C=CC2=CN(N=C2C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C=CC2=CN(N=C2C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5

InChI

InChI=1S/C33H29N3O5/c1-2-3-9-23-14-17-26(18-15-23)34-30(37)22-40-31(38)19-16-25-21-36(27-11-5-4-6-12-27)35-32(25)28-20-24-10-7-8-13-29(24)41-33(28)39/h4-8,10-21H,2-3,9,22H2,1H3,(H,34,37)