4-azanyl-5-chloranyl-2-methoxy-N-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]benzamide; (E)-but-2-enedioic acid

Systemtic Name: 4-azanyl-5-chloranyl-2-methoxy-N-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]benzamide; (E)-but-2-enedioic acid Openeye Name: 4-amino-5-chloro-2-methoxy-N-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]benzamide; fumaric acid CAS Name: 4-amino-5-chloro-2-methoxy-N-[1-[(4-methoxyphenyl)methyl]-3-pyrrolidinyl]benzamide; (E)-2-butenedioic acid IUPAC Name: 4-amino-5-chloro-2-methoxy-N-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]benzamide; (E)-but-2-enedioic acid Traditional Name: 4-amino-5-chloro-2-methoxy-N-(1-p-anisylpyrrolidin-3-yl)benzamide; fumaric acid Formula: C24H28ClN3O7 MolecularWeight: 505.94802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCC(C2)NC(=O)C3=CC(=C(C=C3OC)N)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCC(C2)NC(=O)C3=CC(=C(C=C3OC)N)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H24ClN3O3.C4H4O4/c1-26-15-5-3-13(4-6-15)11-24-8-7-14(12-24)23-20(25)16-9-17(21)18(22)10-19(16)27-2;5-3(6)1-2-4(7)8/h3-6,9-10,14H,7-8,11-12,22H2,1-2H3,(H,23,25);1-2H,(H,5,6)(H,7,8)/b;2-1+