ethyl 3-[(4-fluorophenyl)methylcarbamoyl]-1-(phenylmethyl)-2-propan-2-yl-indole-6-carboxylate

Systemtic Name: ethyl 3-[(4-fluorophenyl)methylcarbamoyl]-1-(phenylmethyl)-2-propan-2-yl-indole-6-carboxylate Openeye Name: ethyl 1-benzyl-3-[(4-fluorophenyl)methylcarbamoyl]-2-isopropyl-indole-6-carboxylate CAS Name: 3-[[(4-fluorophenyl)methylamino]-oxomethyl]-1-(phenylmethyl)-2-propan-2-yl-6-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-[(4-fluorophenyl)methylcarbamoyl]-2-propan-2-ylindole-6-carboxylate Traditional Name: 1-benzyl-3-[(4-fluorobenzyl)carbamoyl]-2-isopropyl-indole-6-carboxylic acid ethyl ester Formula: C29H29FN2O3 MolecularWeight: 472.550563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)C(=C(N2CC3=CC=CC=C3)C(C)C)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)C(=C(N2CC3=CC=CC=C3)C(C)C)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C29H29FN2O3/c1-4-35-29(34)22-12-15-24-25(16-22)32(18-21-8-6-5-7-9-21)27(19(2)3)26(24)28(33)31-17-20-10-13-23(30)14-11-20/h5-16,19H,4,17-18H2,1-3H3,(H,31,33)