4-butoxy-N-[2-[(1-methylpyrrol-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-prop-2-enyl-benzamide

Systemtic Name: 4-butoxy-N-[2-[(1-methylpyrrol-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxo-ethyl]-4-butoxy-benzamide CAS Name: 4-butoxy-N-[2-[(1-methyl-2-pyrrolyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-N-prop-2-enylbenzamide IUPAC Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-butoxy-N-prop-2-enylbenzamide Traditional Name: N-allyl-N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-keto-ethyl]-4-butoxy-benzamide Formula: C29H35N3O3 MolecularWeight: 473.6065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(CC=C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CN3C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(CC=C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CN3C

InChI

InChI=1S/C29H35N3O3/c1-4-6-20-35-27-16-14-25(15-17-27)29(34)31(18-5-2)23-28(33)32(21-24-11-8-7-9-12-24)22-26-13-10-19-30(26)3/h5,7-17,19H,2,4,6,18,20-23H2,1,3H3