aniline; 3-(3,5-dimethoxy-4-pyrrol-1-yl-phenyl)but-3-enoic acid

Systemtic Name: aniline; 3-(3,5-dimethoxy-4-pyrrol-1-yl-phenyl)but-3-enoic acid Openeye Name: aniline; 3-(3,5-dimethoxy-4-pyrrol-1-yl-phenyl)but-3-enoic acid CAS Name: aniline; 3-[3,5-dimethoxy-4-(1-pyrrolyl)phenyl]-3-butenoic acid IUPAC Name: aniline; 3-(3,5-dimethoxy-4-pyrrol-1-ylphenyl)but-3-enoic acid Traditional Name: 3-(3,5-dimethoxy-4-pyrrol-1-yl-phenyl)but-3-enoic acid; phenylamine Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1N2C=CC=C2)OC)C(=C)CC(=O)O.C1=CC=C(C=C1)N

Isomeric SMILES

COC1=CC(=CC(=C1N2C=CC=C2)OC)C(=C)CC(=O)O.C1=CC=C(C=C1)N

InChI

InChI=1S/C16H17NO4.C6H7N/c1-11(8-15(18)19)12-9-13(20-2)16(14(10-12)21-3)17-6-4-5-7-17;7-6-4-2-1-3-5-6/h4-7,9-10H,1,8H2,2-3H3,(H,18,19);1-5H,7H2