ethyl 5-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethoxy]-2-methyl-1-(phenylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 5-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethoxy]-2-methyl-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-5-[2-(4-butylanilino)-2-oxo-ethoxy]-2-methyl-indole-3-carboxylate CAS Name: 5-[2-(4-butylanilino)-2-oxoethoxy]-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-[2-(4-butylanilino)-2-oxoethoxy]-2-methylindole-3-carboxylate Traditional Name: 1-benzyl-5-[2-(4-butylanilino)-2-keto-ethoxy]-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C31H34N2O4 MolecularWeight: 498.61266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC2=CC3=C(C=C2)N(C(=C3C(=O)OCC)C)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC2=CC3=C(C=C2)N(C(=C3C(=O)OCC)C)CC4=CC=CC=C4

InChI

InChI=1S/C31H34N2O4/c1-4-6-10-23-13-15-25(16-14-23)32-29(34)21-37-26-17-18-28-27(19-26)30(31(35)36-5-2)22(3)33(28)20-24-11-8-7-9-12-24/h7-9,11-19H,4-6,10,20-21H2,1-3H3,(H,32,34)