N-(3-azanylpropyl)-N-[1-[7-cyano-4-oxidanylidene-3-(phenylmethyl)chromen-2-yl]-2-methyl-propyl]-4-ethoxy-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[1-[7-cyano-4-oxidanylidene-3-(phenylmethyl)chromen-2-yl]-2-methyl-propyl]-4-ethoxy-benzamide Openeye Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-cyano-4-oxo-chromen-2-yl)-2-methyl-propyl]-4-ethoxy-benzamide CAS Name: N-(3-aminopropyl)-N-[1-[7-cyano-4-oxo-3-(phenylmethyl)-1-benzopyran-2-yl]-2-methylpropyl]-4-ethoxybenzamide IUPAC Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-cyano-4-oxochromen-2-yl)-2-methylpropyl]-4-ethoxybenzamide Traditional Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-cyano-4-keto-chromen-2-yl)-2-methyl-propyl]-4-ethoxy-benzamide Formula: C33H35N3O4 MolecularWeight: 537.6487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=C(C(=O)C3=C(O2)C=C(C=C3)C#N)CC4=CC=CC=C4)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=C(C(=O)C3=C(O2)C=C(C=C3)C#N)CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C33H35N3O4/c1-4-39-26-14-12-25(13-15-26)33(38)36(18-8-17-34)30(22(2)3)32-28(19-23-9-6-5-7-10-23)31(37)27-16-11-24(21-35)20-29(27)40-32/h5-7,9-16,20,22,30H,4,8,17-19,34H2,1-3H3