ethanoic acid; ethyl 3-[1-(4-azanylbutyl)indol-3-yl]-4-(1-methylindol-3-yl)-2-oxidanylidene-1H-imidazole-5-carboxylate

Systemtic Name: ethanoic acid; ethyl 3-[1-(4-azanylbutyl)indol-3-yl]-4-(1-methylindol-3-yl)-2-oxidanylidene-1H-imidazole-5-carboxylate Openeye Name: acetic acid; ethyl 3-[1-(4-aminobutyl)indol-3-yl]-4-(1-methylindol-3-yl)-2-oxo-1H-imidazole-5-carboxylate CAS Name: acetic acid; 3-[1-(4-aminobutyl)-3-indolyl]-4-(1-methyl-3-indolyl)-2-oxo-1H-imidazole-5-carboxylic acid ethyl ester IUPAC Name: acetic acid; ethyl 3-[1-(4-aminobutyl)indol-3-yl]-4-(1-methylindol-3-yl)-2-oxo-1H-imidazole-5-carboxylate Traditional Name: acetic acid; 1-[1-(4-aminobutyl)indol-3-yl]-2-keto-5-(1-methylindol-3-yl)-4-imidazoline-4-carboxylic acid ethyl ester Formula: C29H33N5O5 MolecularWeight: 531.60282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)N1)C2=CN(C3=CC=CC=C32)CCCCN)C4=CN(C5=CC=CC=C54)C.CC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)N1)C2=CN(C3=CC=CC=C32)CCCCN)C4=CN(C5=CC=CC=C54)C.CC(=O)O

InChI

InChI=1S/C27H29N5O3.C2H4O2/c1-3-35-26(33)24-25(20-16-30(2)21-12-6-4-10-18(20)21)32(27(34)29-24)23-17-31(15-9-8-14-28)22-13-7-5-11-19(22)23;1-2(3)4/h4-7,10-13,16-17H,3,8-9,14-15,28H2,1-2H3,(H,29,34);1H3,(H,3,4)